Basic information
- CAS
124168-55-4- Standard SMILES
OCc1sc2ccccc2c1Cl- InChIKey
CPGKUHFGNJQXKY-UHFFFAOYSA-N- Molecular formula
- C9H7ClOS
- Average molar mass
- 198.67 g/mol
- Monoisotopic mass
- 197.99061352
Names & identifiers
- Preferred name
- (3-Chloro-1-benzothien-2-yl)methanol
- IUPAC
- (3-chloro-1-benzothiophen-2-yl)methanol
- English name
- (3-Chloro-1-benzothien-2-yl)methanol
- Molecular formula
- C9H7ClOS
- Molecular weight
- 198.67
Names & synonyms
124168-55-4(3-chloro-1-benzothien-2-yl)methanol(3-chloro-1-benzothiophen-2-yl)methanol(3-chlorobenzo[b]thiophen-2-yl)methanol(3-Chloro-benzo[b]thiophen-2-yl)-methanolMFCD03229984Benzo[b]thiophene-2-methanol, 3-chloro-SCHEMBL658865DTXSID70356344CPGKUHFGNJQXKY-UHFFFAOYSA-NHMS1776C11ZEA16855
Show more names
(3-chlorobenzothiophen-2-yl)methanolAKOS001204390SB32131AS-64119DA-13798(3-chlorobenzo[b]thiophen-2-yl)methan-1-olCS-0037832ST50807361
Database identifiers
- CAS
124168-55-4- PubChem CID
- 821965
- DTXSID
DTXSID70356344
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海智乾生物科技有限公司[email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
28 records
Compound notes
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