Basic information
- CAS
329219-36-5- Standard SMILES
NNC(=O)c1sc2cc(F)ccc2c1Cl- InChIKey
SMWWKYQXDCAXQJ-UHFFFAOYSA-N- Molecular formula
- C9H6ClFN2OS
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 243.9873398
Names & identifiers
- Preferred name
- 3-Chloro-6-fluoro-1-benzothiophene-2-carbohydrazide
- IUPAC
- 3-chloro-6-fluoro-1-benzothiophene-2-carbohydrazide
- English name
- 3-Chloro-6-fluoro-1-benzothiophene-2-carbohydrazide
- Molecular formula
- C9H6ClFN2OS
- Molecular weight
- 244.67
Names & synonyms
3-chloro-6-fluoro-1-benzothiophene-2-carbohydrazide329219-36-53-chloro-6-fluorobenzo[b]thiophene-2-carbohydrazideMFCD004498503-Chloro-6-fluoro-benzo[b]thiophene-2-carboxylic acid hydrazideSCHEMBL12726993DTXSID40351164SMWWKYQXDCAXQJ-UHFFFAOYSA-NALBB-002525SBB084123STK371293AKOS000122667
Show more names
ZINC000647473-chloro-6-fluoro-2-benzothiophenecarbohydrazideBenzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, hydrazide
ST004354VS-13429CS-0212950EN300-03935H221323-chloro-6-fluoro-benzothiophene-2-carbohydrazideF014631SR-01000315241
Database identifiers
- CAS
329219-36-5- PubChem CID
- 692995
- DTXSID
DTXSID40351164
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Density
- 1.561 · 1.561±0.06 g/cm3(Predicted)
- pka
- 11.92 · 11.92±0.30(Predicted)
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
上海贤鼎生物科技有限公司4009209199 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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