Basic information
- CAS
101491-88-7- Standard SMILES
CC(C)c1cccc(OC(=O)N(C)S)c1- InChIKey
QPJGONVSRFMVHE-UHFFFAOYSA-N- Molecular formula
- C11H15NO2S
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.08234989
Names & identifiers
- Preferred name
- Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-methyl-N-sulfanylcarbamate
- English name
- (3-propan-2-ylphenyl) N-methyl-N-sulfanyl-carbamate
- Molecular formula
- C11H15NO2S
- Molecular weight
- 225.3073
Names & synonyms
101491-88-7CARBAMIC ACID, N-MERCAPTO-N-METHYL-, m-ISOPROPYLPHENYL ESTERm-Isopropylphenyl N-mercapto-N-methylcarbamateDTXSID30143959RefChem:332693DTXCID0066450(3-propan-2-ylphenyl) N-methyl-N-sulfanylcarbamate3-Isopropylphenyl mercapto(methyl)carbamatestarbld00036463-Isopropylphenyl methyl(sulfanyl)carbamateCarbamic acid,mercaptomethyl-, 3-(1-methylethyl)phenyl ester (9CI)3-(propan-2-yl)phenyl methyl(sulfanyl)carbamate
Show more names
(3-propan-2-ylphenyl) N-methyl-N-sulfanyl-carbamate
orb1986313SCHEMBL28615835AKOS040751004T30713
Database identifiers
- CAS
101491-88-7- PubChem CID
- 58474
- DTXSID
DTXSID30143959- Nikkaji
- J67.622E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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