Organosulfur Compounds
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Phenyl isothiocyanate, 98%
CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1
| PubChem CID | 7673 |
|---|---|
| CAS | 103-72-0 |
| Molecular Weight (g/mol) | 135.18 |
| ChEBI | CHEBI:85103 |
| MDL Number | MFCD00004798 |
| SMILES | S=C=NC1=CC=CC=C1 |
| Synonym | phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate |
| IUPAC Name | isothiocyanatobenzene |
| InChI Key | QKFJKGMPGYROCL-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS |
Methyl disulfide, 99%
CAS: 624-92-0 Molecular Formula: C2H6S2 Molecular Weight (g/mol): 94.19 MDL Number: MFCD00008561 InChI Key: WQOXQRCZOLPYPM-UHFFFAOYSA-N Synonym: dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane PubChem CID: 12232 ChEBI: CHEBI:4608 IUPAC Name: (methyldisulfanyl)methane SMILES: CSSC
| PubChem CID | 12232 |
|---|---|
| CAS | 624-92-0 |
| Molecular Weight (g/mol) | 94.19 |
| ChEBI | CHEBI:4608 |
| MDL Number | MFCD00008561 |
| SMILES | CSSC |
| Synonym | dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane |
| IUPAC Name | (methyldisulfanyl)methane |
| InChI Key | WQOXQRCZOLPYPM-UHFFFAOYSA-N |
| Molecular Formula | C2H6S2 |
Methyl disulfide, 99%, AcroSeal™
CAS: 624-92-0 Molecular Formula: C2H6S2 Molecular Weight (g/mol): 94.19 MDL Number: MFCD00008561 InChI Key: WQOXQRCZOLPYPM-UHFFFAOYSA-N Synonym: dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane PubChem CID: 12232 ChEBI: CHEBI:4608 IUPAC Name: (methyldisulfanyl)methane SMILES: CSSC
| PubChem CID | 12232 |
|---|---|
| CAS | 624-92-0 |
| Molecular Weight (g/mol) | 94.19 |
| ChEBI | CHEBI:4608 |
| MDL Number | MFCD00008561 |
| SMILES | CSSC |
| Synonym | dimethyl disulfide,methyl disulfide,dimethyldisulfide,disulfide, dimethyl,dmds,2,3-dithiabutane,dimethyl disulphide,methyldisulfanyl methane,methyldisulfide,methyldithiomethane |
| IUPAC Name | (methyldisulfanyl)methane |
| InChI Key | WQOXQRCZOLPYPM-UHFFFAOYSA-N |
| Molecular Formula | C2H6S2 |
Medchemexpress LLC 4-methoxyphenyl isothiocyanate | 2284-20-0 | MFCD00011676 | 165.21 g/mol | C8H7NOS | 1 G
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4-Methoxyphenyl isothiocyanate is an organic isothiocyanate reagent used in biochemical research to evaluate antioxidant properties and cholinesterase interactions. It exhibits measurable radical-scavenging activity and partial inhibition of cholinesterase enzymes, and is supplied in small laboratory pack sizes for research applications.
- CAS number 2284-20-0.
- Molecular formula C8H7NOS; molecular weight 165.21 g/mol.
- Reported antioxidant activity: DPPH IC50 = 1.25 mM; ORAC = 11.7 mM Trolox equivalents.
- Partial cholinesterase inhibition: acetylcholinesterase ≈30.4%; butyrylcholinesterase ≈17.9%.
- Available pack sizes: 1 g, 5 g, 10 g, 50 g.
- Appearance: colorless to light yellow; solid-liquid mixture.
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Medchemexpress LLC 4-methoxyphenyl isothiocyanate | 2284-20-0 | MFCD00011676 | 165.21 g/mol | C8H7NOS | 5 G
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4-Methoxyphenyl isothiocyanate is an organic research reagent used as an electrophilic isothiocyanate building block for synthesis and derivatization. It is supplied in small laboratory quantities and should be handled and stored according to the safety data sheet.
- Electrophilic isothiocyanate for introducing thiourea and related motifs.
- Useful building block for small-molecule synthesis and derivatization.
- Applicable in medicinal chemistry and reagent screening workflows.
- Small, easy-to-handle 5 g laboratory package.
- Handle per SDS recommendations; use appropriate personal protective equipment.
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Sigma Aldrich S-Methyl methanethiosulfonate
MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.
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| Boiling Point | 69°C to 71°C (0.4 mmHg) |
|---|---|
| Percent Purity | ≥98.0% (GC) |
| Linear Formula | CH3SO2SCH3 |
| CAS | 2949-92-0 |
| Molecular Weight (g/mol) | 126.2 |
| MDL Number | MFCD00007565 |
| Refractive Index | n20/D 1.513 (literature); n20/D 1.513 |
| Synonym | S-Methyl thiomethanesulfonate; MMTS |
| RTECS Number | PB2765000 |
| Recommended Storage | 2°C to 8°C |
| Molecular Formula | C2H6O2S2 |
| EINECS Number | 220-970-0 |
| Density | 1.337 g/mL at 20°C, 1.337 g/mL (at 25°C (literature)) |
Sigma Aldrich Phenyl Isothiocyanate
MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.
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| Boiling Point | 218°C |
|---|---|
| Linear Formula | C6H5NCS |
| CAS | 103-72-0 |
| Molecular Weight (g/mol) | 135.19 g/mol |
| MDL Number | MFCD00004798 |
| Refractive Index | n20/D 1.6515 |
| Synonym | PITC |
| RTECS Number | NX9275000 |
| Recommended Storage | Room Temperature |
| Molecular Formula | C7H5NS |
| EINECS Number | 203-138-1 |
| Density | 1.132 g/mL at 20°C |
| Melting Point | -21°C |
Medchemexpress LLC Cb2r/faah modulator-2 | 2876918-68-0 | 367.52 g·mol⁻¹ | C24H33NO2 | 10 MG
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CB2R/FAAH modulator-2 is a research-grade small-molecule dual-target modulator that acts as an agonist at the cannabinoid CB2 receptor and an inhibitor of fatty acid amide hydrolase (FAAH). It is supplied as a solid for in vitro and in vivo pharmacology studies involving cannabinoid signaling and endocannabinoid metabolism. The compound has CAS 2876918-68-0, molecular formula C24H33NO2, and molecular weight 367.52 g·mol⁻¹.
- Dual CB2R agonist and FAAH inhibitor.
- Suitable for in vitro and in vivo pharmacology studies.
- Provided as a solid, with an option as 10 mM in DMSO solution.
- Available in small research sizes, for example 10 mg.
- CAS number 2876918-68-0 for unambiguous identification.
- Recommended storage: powder at -20°C or 4°C; in solvent at -80°C or -20°C.
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Medchemexpress LLC Hydrazinecarbothioamide, 2-(1H-indol-3-ylmethylene)-N-(4-methylphenyl)-, (2E)- | 2097787-75-0 | 99.0% | 308.40 | 5 MG
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Nur77 modulator 3 (HY-162147) is a chemical compound intended for research use only. It has a molecular weight of 308.40 and exhibits a high purity of 99.01% via HPLC analysis. This compound is identified by its CAS Number 2097787-75-0 and the chemical name Hydrazinecarbothioamide, 2-(1H-indol-3-ylmethylene)-N-(4-methylphenyl)-, (2E)-.
- Provided as a white to off-white solid
- Structure confirmed by ¹H NMR and LCMS
- High purity of 99.01% verified by HPLC
- Powder storage recommended at -20°C for up to 3 years
- In-solvent storage recommended at -80°C for 6 months or -20°C for 1 month
- Complies with specified quality standards
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Medchemexpress LLC GPR120 modulator 2 | 1050506-87-0 | 97.1% | 387.88 | C20H18ClNO3S | 10 MG
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GPR120 modulator 2 is a small-molecule research compound that modulates the free fatty acid receptor GPR120 and is intended for in vitro pharmacology and metabolic signaling studies.
- Targets the free fatty acid receptor GPR120.
- Molecular formula C20H18ClNO3S and molecular weight 387.88.
- CAS number 1050506-87-0 for unambiguous identification.
- High purity (97.1%) suitable for research applications.
- Available in small pack sizes, including 10 mg.
- Storage: powder at -20°C for long-term stability, 4°C short term; in solvent store at -80°C.
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HX 630, Tocris Bioscience™
CAS: 188844-52-2 Molecular Formula: C28H27NO2S Molecular Weight (g/mol): 441.589 InChI Key: PFGCWQPTOKPRRK-UHFFFAOYSA-N Synonym: 4-7,8,9,10-tetrahydro-7,7,10,10-tetramethylbenzo b naphtho 2,3-f 1,4 thiazepin-12-yl-benzoic acid,benzoic acid, 4-7,8,9,10-tetrahydro-7,7,10,10-tetramethylbenzo b naphtho 2,3-f 1,4 thiazepin-12-yl,4-7,7,10,10-tetramethyl-7,8,9,10-tetrahydro-5-thia-13-aza-benzo 4,5 cyclohepta 1,2-b naphthalen-12-yl-benzoic acid,4-7,8,9,10-tetrahydro-7,7,10,10-tetramethylbenzo b naphtho 2,3-f 1,4 thiazepin-12-yl benzoic acid,4-14,14,17,17-tetramethyl-2-thia-9-azatetracyclo 9.8.0.0 3 ,?.0 1 3 , 1 ? nonadeca-1 19 ,3,5,7,9,11,13 18-heptaen-10-yl benzoic acid PubChem CID: 9889522 IUPAC Name: 4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)benzoic acid SMILES: CC1(CCC(C2=C1C=C3C(=C2)SC4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)(C)C)C
| PubChem CID | 9889522 |
|---|---|
| CAS | 188844-52-2 |
| Molecular Weight (g/mol) | 441.589 |
| SMILES | CC1(CCC(C2=C1C=C3C(=C2)SC4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)(C)C)C |
| Synonym | 4-7,8,9,10-tetrahydro-7,7,10,10-tetramethylbenzo b naphtho 2,3-f 1,4 thiazepin-12-yl-benzoic acid,benzoic acid, 4-7,8,9,10-tetrahydro-7,7,10,10-tetramethylbenzo b naphtho 2,3-f 1,4 thiazepin-12-yl,4-7,7,10,10-tetramethyl-7,8,9,10-tetrahydro-5-thia-13-aza-benzo 4,5 cyclohepta 1,2-b naphthalen-12-yl-benzoic acid,4-7,8,9,10-tetrahydro-7,7,10,10-tetramethylbenzo b naphtho 2,3-f 1,4 thiazepin-12-yl benzoic acid,4-14,14,17,17-tetramethyl-2-thia-9-azatetracyclo 9.8.0.0 3 ,?.0 1 3 , 1 ? nonadeca-1 19 ,3,5,7,9,11,13 18-heptaen-10-yl benzoic acid |
| IUPAC Name | 4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)benzoic acid |
| InChI Key | PFGCWQPTOKPRRK-UHFFFAOYSA-N |
| Molecular Formula | C28H27NO2S |