Basic information
- CAS
120279-20-1- Standard SMILES
CC(CC(=O)O)Sc1cccs1- InChIKey
SIFFRIHCTBGQTC-UHFFFAOYSA-N- Molecular formula
- C8H10O2S2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.01222156
Names & identifiers
- Preferred name
- 3-((Thiophen-2-yl)sulfanyl)butanoic acid
- IUPAC
- 3-thiophen-2-ylsulfanylbutanoic acid
- English name
- 3-(2-Thienylthio)butanoic acid
- Molecular formula
- C8H10O2S2
- Molecular weight
- 202.3
Names & synonyms
120279-20-1DTXSID804364443-[(Thiophen-2-yl)sulfanyl]butanoic acid3-((Thiophen-2-yl)sulfanyl)butanoic acidRefChem:1066347DTXCID603872683-(Thiophen-2-ylthio)butanoic acid3-thiophen-2-ylsulfanylbutanoic Acid3-(THIOPHEN-2-YLSULFANYL)BUTANOIC ACID3-(Thiophen-2-ylthio)butanoicacidSCHEMBL4323703SB49441
Show more names
3-(2-Thienylthio)butyric acid3-(2-Thienylthio)butanoic acidButanoic acid, 3-(2-thienylthio)-(RS)-3-(2-mercaptothiophene)butanoic acid
DA-20434
Database identifiers
- CAS
120279-20-1- PubChem CID
- 10176592
- DTXSID
DTXSID80436444- Nikkaji
- J1.637.246C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 168 °C · 168 °C(Press: 14 Torr)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.25 · 4.25±0.10(Predicted)
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Shanghai Joy Biotech Ltd.+86-15968534750 +86-1358845959750 · [email protected]
Related reactions
1 records
Compound notes
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