Carbamic acid, thiobis(methyl-, bis(3-(1-methylethyl)phenyl) ester
Basic information
- CAS
37532-29-9- Standard SMILES
CC(C)c1cccc(OC(=O)NCSCNC(=O)Oc2cccc(C(C)C)c2)c1- InChIKey
BPJIOAVCTUZJKK-UHFFFAOYSA-N- Molecular formula
- C22H28N2O4S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.17697855
Names & identifiers
- Preferred name
- Carbamic acid, thiobis(methyl-, bis(3-(1-methylethyl)phenyl) ester
- IUPAC
- (3-propan-2-ylphenyl) N-[[(3-propan-2-ylphenoxy)carbonylamino]methylsulfanylmethyl]carbamate
Names & synonyms
Bismip sulfideBRN 218937737532-29-9Thiobis(methylcarbamic acid) bis(3-(1-methylethyl)phenyl) esterCARBAMIC ACID, THIOBIS(METHYL-, BIS(3-(1-METHYLETHYL)PHENYL) ESTERRefChem:332747DTXSID20958615Bis[3-(propan-2-yl)phenyl] [sulfanediylbis(methylene)]bis(hydrogen carbonimidate)
Database identifiers
- CAS
37532-29-9- PubChem CID
- 37774
- DTXSID
DTXSID20958615
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 471
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Compound notes
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