Basic information
- CAS
1050392-29-4- Standard SMILES
COc1ccc(-c2nsc(N)c2C)cc1- InChIKey
VAIJKTHAHKDKKB-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.067034
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-4-methylisothiazol-5-amine
- IUPAC
- 3-(4-methoxyphenyl)-4-methyl-1,2-thiazol-5-amine
- English name
- 3-(4-methoxyphenyl)-4-methylisothiazol-5-amine
- Molecular formula
- C11H12N2OS
- Molecular weight
- 220.29
Names & synonyms
3-(4-Methoxyphenyl)-4-methylisothiazol-5-amine1050392-29-43-(4-methoxyphenyl)-4-methyl-1,2-thiazol-5-amine3-(4-methoxy-phenyl)-4-methylisothiazol-5-ylamineSCHEMBL1838245DTXSID90694790VAIJKTHAHKDKKB-UHFFFAOYSA-NDB-0592913-(4-methoxyphenyl)-4-methylisothiazol-5-ylamine3-(4-Methoxyphenyl)-4-methyl-5-isothiazolamine5-IsothiazolaMine, 3-(4-Methoxyphenyl)-4-Methyl-
Database identifiers
- CAS
1050392-29-4- PubChem CID
- 53401080
- DTXSID
DTXSID90694790- Nikkaji
- J3.475.423C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Density
- 1.223 · 1.223
- storage temp.
- 2 · 2-8°C
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
Chemistry & industry
Suppliers6 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海渤腾医药科技有限公司(86) 21 51969655
career henan chemical co+86-0371-86658258 · [email protected]
上海沃见生物科技有限公司021-18017654 18017654809 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
6 records
Compound notes
Loading…