Molecular Identity
Thiobencarb
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
PubChem CID: 34192
Thiobencarb is a monothiocarbamic ester and a member of monochlorobenzenes.
2D Structure
Properties
C12H16ClNOS
Molecular Formula
257.78
Molecular Weight
g/mol
257.0641
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
45.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
213
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)C(=O)SCC1=CC=C(C=C1)ClIsomeric SMILES
SMILES: CCN(CC)C(=O)SCC1=CC=C(C=C1)ClSynonyms(20)
THIOBENCARBBenthiocarb28249-77-6Benthiocarb [ISO]S-(4-chlorobenzyl) diethylcarbamothioateDTXSID6024337Thiobencarbe [ISO-French]S-4-Chlorobenzyl diethylthiocarbamateThiobencarb [ANSI:BSI:ISO]S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioateHSDB 6846EINECS 248-924-5UNII-90LN6Y7I7HEPA Pesticide Chemical Code 108401BENCARB
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Thiobencarb
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