Basic information
- CAS
6265-55-0- Standard SMILES
Oc1ccc(-c2nc3ccccc3s2)cc1- InChIKey
ODMDLCWSMSFWCW-UHFFFAOYSA-N- Molecular formula
- C13H9NOS
- Average molar mass
- 227.28 g/mol
- Monoisotopic mass
- 227.04048491
Names & identifiers
- Preferred name
- 2-(4-Hydroxyphenyl)benzothiazole
- IUPAC
- 4-(1,3-benzothiazol-2-yl)phenol
- English name
- 4-(2-benzothiazolyl)-pheno
- Molecular formula
- C13H9NOS
- Molecular weight
- 227.28166
Names & synonyms
6265-55-02-(4-hydroxyphenyl)benzothiazoleRefChem:9093394-(1,3-benzothiazol-2-yl)phenol4-(2-Benzothiazolyl)phenol4-(BENZO[D]THIAZOL-2-YL)PHENOLNSC33004MFCD017077732-(p-Hydroxyphenyl)benzothiazolePhenol, 4-(2-benzothiazolyl)-CHEMBL47875MLS000773814
Show more names
4-(2-benzothiazolyl)-pheno
SMR0003646614-benzothiazol-2-ylphenolBRN 01633204-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-oneNCIMech_000238Phenol, p-2-benzothiazolyl-SCHEMBL1346937SCHEMBL5544523
Database identifiers
- CAS
6265-55-0- PubChem CID
- 95745
- DTXSID
DTXSID60978211- ChEMBL
CHEMBL47875- Nikkaji
- J588.889A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
LogP1.86
Solubility6.6 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers20 total
苏州申拓医药科技有限公司13911244683 18151949202
泰州葛林美克医药科技有限公司15366892466
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [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]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
苏州昊帆生物股份有限公司0512-68311833 13962195826 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
华世药业（南京）有限公司025-57672321 13739186949 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
湖南嘉航医药科技有限公司85567275 15200744171 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
11 records
Compound notes
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