Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester
Basic information
- CAS
65907-48-4- Standard SMILES
CCCCOC(=O)NCSCNC(=O)Oc1cccc(C(C)C)c1- InChIKey
JPSPJPKEVNIZKZ-UHFFFAOYSA-N- Molecular formula
- C17H26N2O4S
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.16132849
Names & identifiers
- Preferred name
- Carbamic acid, thiobis(N-methyl-, butyl 3-isopropylphenyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-[(butoxycarbonylamino)methylsulfanylmethyl]carbamate
Names & synonyms
BRN 2174977CARBAMIC ACID, THIOBIS(N-METHYL-, BUTYL 3-ISOPROPYLPHENYL ESTERThiobis(N-methylcarbamic acid) butyl 3-isopropylphenyl ester65907-48-4DTXSID20216141NSC 317044RefChem:332750DTXCID20138632Butyl 3-(propan-2-yl)phenyl [sulfanediylbis(methylene)]biscarbamate
Database identifiers
- CAS
65907-48-4- PubChem CID
- 47767
- DTXSID
DTXSID20216141
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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