(2-methylphenyl) N,N-dimethylcarbamodithioate

C10H13NS2 — CID 15103810

IUPAC(2-methylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1ccccc1SC(=S)N(C)C
InChIInChI=1S/C10H13NS2/c1-8-6-4-5-7-9(8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyBQJOLIWVPZJESL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds1

About (2-methylphenyl) N,N-dimethylcarbamodithioate

(2-methylphenyl) N,N-dimethylcarbamodithioate (PubChem CID 15103810) has the molecular formula C10H13NS2 and a molecular weight of 211.35 g/mol. Its IUPAC name is (2-methylphenyl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(2-methylphenyl) N,N-dimethylcarbamodithioate
PubChem CID15103810
Molecular FormulaC10H13NS2
Molecular Weight211.35 g/mol
Exact Mass211.05
IUPAC Name(2-methylphenyl) N,N-dimethylcarbamodithioate
SMILESCc1ccccc1SC(=S)N(C)C
InChIInChI=1S/C10H13NS2/c1-8-6-4-5-7-9(8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyBQJOLIWVPZJESL-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

(2-methylphenyl) ethanedithioate
CID 139915930
phenyl N,N-dimethylcarbamodithioate
CID 11063386
1-benzothiophen-3-yl N,N-dimethylcarbamodithioate
CID 86082755
(2-methylphenyl) N-[[(2-methylphenyl)sulfanylcarbothioylamino]-phenylmethyl]carbamodithioate
CID 140862897
2-(2-methylphenyl)sulfanyl-N-phenylprop-2-enethioamide
CID 154460605
1-[(E)-2-chloro-1-phenylethenyl]sulfanyl-2-methylbenzene
CID 139262829
N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine
CID 14913540
CID 68562978
CID 68562978
pyridazin-3-yl N,N-dimethylcarbamodithioate
CID 131065614
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]sulfanylbenzene
CID 177195122
(2-chloronaphthalen-1-yl) N,N-dimethylcarbamodithioate
CID 88758317
S-(7-oxocyclohepta-1,3,5-trien-1-yl) N,N-dimethylcarbamothioate
CID 122232724

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) N,N-dimethylcarbamodithioate?
The IUPAC name of (2-methylphenyl) N,N-dimethylcarbamodithioate (CID 15103810) is (2-methylphenyl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (2-methylphenyl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (2-methylphenyl) N,N-dimethylcarbamodithioate is Cc1ccccc1SC(=S)N(C)C.
What is the InChIKey of (2-methylphenyl) N,N-dimethylcarbamodithioate?
The InChIKey is BQJOLIWVPZJESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS2/c1-8-6-4-5-7-9(8)13-10(12)11(2)3/h4-7H,1-3H3.
What are the key properties of (2-methylphenyl) N,N-dimethylcarbamodithioate?
(2-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 (2-methylphenyl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 15103810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).