Basic information
- CAS
65907-44-0- Standard SMILES
COC(=O)NCSCNC(=O)Oc1cccc(C(C)C)c1- InChIKey
VEJKIUSWWDLHAS-UHFFFAOYSA-N- Molecular formula
- C14H20N2O4S
- Average molar mass
- 312.39 g/mol
- Monoisotopic mass
- 312.1143783
Names & identifiers
- Preferred name
- Carbamic acid, thiobis(N-methyl-, 3-isopropylphenyl methyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-[(methoxycarbonylamino)methylsulfanylmethyl]carbamate
- English name
- N-[[Methoxycarbonyl(methyl)amino]thio]-N-methylcarbamic acid 3-isopropylphenyl ester
- Molecular formula
- C14H20N2O4S
- Molecular weight
- 312.38
Names & synonyms
BRN 216829265907-44-0CARBAMIC ACID, THIOBIS(N-METHYL-, 3-ISOPROPYLPHENYL METHYL ESTERThiobis(N-methylcarbamic acid)-3-isopropylphenyl methyl esterDTXSID30216137RefChem:332748DTXCID30138628Methyl 3-(propan-2-yl)phenyl [sulfanediylbis(methylene)]biscarbamateN-[[Methoxycarbonyl(methyl)amino]thio]-N-methylcarbamic acid 3-isopropylphenyl ester6-Oxa-3-thia-2,4-diazaheptanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
Database identifiers
- CAS
65907-44-0- PubChem CID
- 47765
- DTXSID
DTXSID30216137
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
LogP1.49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…