(3-methylphenyl) N,N-dimethylcarbamodithioate

C10H13NS2 — CID 15103812

IUPAC(3-methylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1cccc(SC(=S)N(C)C)c1
InChIInChI=1S/C10H13NS2/c1-8-5-4-6-9(7-8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyIVUSPGWJDHLTLF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds1

About (3-methylphenyl) N,N-dimethylcarbamodithioate

(3-methylphenyl) N,N-dimethylcarbamodithioate (PubChem CID 15103812) has the molecular formula C10H13NS2 and a molecular weight of 211.35 g/mol. Its IUPAC name is (3-methylphenyl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(3-methylphenyl) N,N-dimethylcarbamodithioate
PubChem CID15103812
Molecular FormulaC10H13NS2
Molecular Weight211.35 g/mol
Exact Mass211.05
IUPAC Name(3-methylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1cccc(SC(=S)N(C)C)c1
InChIInChI=1S/C10H13NS2/c1-8-5-4-6-9(7-8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyIVUSPGWJDHLTLF-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1-methyl-3-(methylthio)-
CID 21005
Benzyl dimethyldithiocarbamate
CID 81664
Benzyl Diethyldithiocarbamate
CID 590455
Benzylidene bis(dimethyldithiocarbamate)
CID 6452169
[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
CID 58219874
(4-methylsulfanylphenyl)methyl N,N-diethylcarbamodithioate
CID 132014423
ST51039016
CID 11063386
S-[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamothioate
CID 21161803
[3-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
CID 86082728
[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamodithioate
CID 155936768
S-(4-methylphenyl) N,N-dimethylcarbamothioate
CID 13419715
N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-yn-1-amine
CID 134838226

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N,N-dimethylcarbamodithioate?
The IUPAC name of (3-methylphenyl) N,N-dimethylcarbamodithioate (CID 15103812) is (3-methylphenyl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (3-methylphenyl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (3-methylphenyl) N,N-dimethylcarbamodithioate is Cc1cccc(SC(=S)N(C)C)c1.
What is the InChIKey of (3-methylphenyl) N,N-dimethylcarbamodithioate?
The InChIKey is IVUSPGWJDHLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS2/c1-8-5-4-6-9(7-8)13-10(12)11(2)3/h4-7H,1-3H3.
What are the key properties of (3-methylphenyl) N,N-dimethylcarbamodithioate?
(3-methylphenyl) N,N-dimethylcarbamodithioate has a molecular weight of 211.35 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 15103812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).