Carbamic acid, (((4-(1,1-dimethylethyl)phenyl)methoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Basic information
- CAS
86627-80-7- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCSOCc3ccc(C(C)(C)C)cc3)c2O1- InChIKey
GBZMRZGZUBIORL-UHFFFAOYSA-N- Molecular formula
- C23H29NO4S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.18172958
Names & identifiers
- Preferred name
- Carbamic acid, (((4-(1,1-dimethylethyl)phenyl)methoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butylphenyl)methoxysulfanylmethyl]carbamate
Names & synonyms
86627-80-7Carbamic acid, (((4-(1,1-dimethylethyl)phenyl)methoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID602357302,3-Dihydro-2,2-dimethyl-7-benzofuranyl (p-tert-butylbenzyloxysulfenyl)(methyl)carbamateRefChem:331648DTXCID901582212,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl ({[(4-tert-butylphenyl)methoxy]sulfanyl}methyl)carbamate
Database identifiers
- CAS
86627-80-7- PubChem CID
- 55528
- DTXSID
DTXSID60235730
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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