(4-methylphenyl) N,N-dimethylcarbamodithioate

C10H13NS2 — CID 11805987

IUPAC(4-methylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1ccc(SC(=S)N(C)C)cc1
InChIInChI=1S/C10H13NS2/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyFTOHIVXNHNGXIS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds1

About (4-methylphenyl) N,N-dimethylcarbamodithioate

(4-methylphenyl) N,N-dimethylcarbamodithioate (PubChem CID 11805987) has the molecular formula C10H13NS2 and a molecular weight of 211.35 g/mol. Its IUPAC name is (4-methylphenyl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(4-methylphenyl) N,N-dimethylcarbamodithioate
PubChem CID11805987
Molecular FormulaC10H13NS2
Molecular Weight211.35 g/mol
Exact Mass211.05
IUPAC Name(4-methylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1ccc(SC(=S)N(C)C)cc1
InChIInChI=1S/C10H13NS2/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyFTOHIVXNHNGXIS-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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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N,N-dimethylcarbamodithioate?
The IUPAC name of (4-methylphenyl) N,N-dimethylcarbamodithioate (CID 11805987) is (4-methylphenyl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (4-methylphenyl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (4-methylphenyl) N,N-dimethylcarbamodithioate is Cc1ccc(SC(=S)N(C)C)cc1.
What is the InChIKey of (4-methylphenyl) N,N-dimethylcarbamodithioate?
The InChIKey is FTOHIVXNHNGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS2/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3.
What are the key properties of (4-methylphenyl) N,N-dimethylcarbamodithioate?
(4-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 (4-methylphenyl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 11805987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).