Basic information
- CAS
61627-58-5- Standard SMILES
CCC(=O)Nc1sc2c(c1C#N)CCCC2- InChIKey
CIQULTXYCPXNMG-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.08268425
Names & identifiers
- Preferred name
- N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamide
- IUPAC
- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
- English name
- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanaMide
- Molecular formula
- C12H14N2OS
- Molecular weight
- 234.32
Names & synonyms
61627-58-5N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamideN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamidePropanamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-CHEMBL1956428MFCD00992942Oprea1_726323Oprea1_734257SCHEMBL11369250DTXSID70355635HMS1676H02LCA62758
Show more names
BDBM50365988EBC-03746AKOS000563028DS-9463DB-172631CS-0009790ST50005659N10426
Database identifiers
- CAS
61627-58-5- PubChem CID
- 810647
- DTXSID
DTXSID70355635- ChEMBL
CHEMBL1956428
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
湖北鑫源顺医药化工有限公司027-50664929, 13971561712 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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