Carbamic acid, (((4-((1,1-dimethylethyl)-2-methylphenyl)thio)sulfinyl)methyl)-, 3-(1-methylethyl)phenyl ester

HCID 53632

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Basic information

CAS: 77248-47-6
Standard SMILES: Cc1cc(C(C)(C)C)ccc1SS(=O)CNC(=O)Oc1cccc(C(C)C)c1
InChIKey: BAHFWFXONIVCAW-UHFFFAOYSA-N
Molecular formula: C22H29NO3S2
Average molar mass: 419.6 g/mol
Monoisotopic mass: 419.15888613

Names & identifiers

Preferred name: Carbamic acid, (((4-((1,1-dimethylethyl)-2-methylphenyl)thio)sulfinyl)methyl)-, 3-(1-methylethyl)phenyl ester
IUPAC: (3-propan-2-ylphenyl) N-[(4-tert-butyl-2-methylphenyl)sulfanylsulfinylmethyl]carbamate
English name: CARBAMIC ACID, (((4-((1,1-DIMETHYLETHYL)-2-METHYLPHENYL)THIO)SULFINYL) METHYL)-,
Molecular formula: C22H29NO3S2
Molecular weight: 419.60056

Names & synonyms

77248-47-63-Isopropylphenyl(methyl)(2-methyl-4-t-butylphenylthiosulfinyl)carbamateCarbamic acid, (((4-((1,1-dimethylethyl)-2-methylphenyl)thio)sulfinyl)methyl)-, 3-(1-methylethyl)phenyl esterRefChem:331645DTXSID00998493S-(4-tert-Butyl-2-methylphenyl) ({hydroxy[3-(propan-2-yl)phenoxy]methylidene}amino)methanesulfinothioateCARBAMIC ACID, (((4-((1,1-DIMETHYLETHYL)-2-METHYLPHENYL)THIO)SULFINYL) METHYL)-,

Database identifiers

CAS: 77248-47-6
PubChem CID: 53632
DTXSID: DTXSID00998493

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 99.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 532

Chemistry & industry

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HONEST JOY HOLDINGS LIMITED[email protected]

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