methyl N-methyl-N-phenylcarbamodithioate

C9H11NS2 — CID 10888869

IUPACmethyl N-methyl-N-phenylcarbamodithioate
SMILESCSC(=S)N(C)c1ccccc1
InChIInChI=1S/C9H11NS2/c1-10(9(11)12-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyDAFDBQCIBPFTCW-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.77
Rot. Bonds1

About methyl N-methyl-N-phenylcarbamodithioate

methyl N-methyl-N-phenylcarbamodithioate (PubChem CID 10888869) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is methyl N-methyl-N-phenylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-methyl-N-phenylcarbamodithioate
PubChem CID10888869
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Namemethyl N-methyl-N-phenylcarbamodithioate
SMILESCSC(=S)N(C)c1ccccc1
InChIInChI=1S/C9H11NS2/c1-10(9(11)12-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyDAFDBQCIBPFTCW-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.77
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 methyl N-methyl-N-phenylcarbamodithioate?
The IUPAC name of methyl N-methyl-N-phenylcarbamodithioate (CID 10888869) is methyl N-methyl-N-phenylcarbamodithioate.
What is the SMILES notation for methyl N-methyl-N-phenylcarbamodithioate?
The canonical SMILES for methyl N-methyl-N-phenylcarbamodithioate is CSC(=S)N(C)c1ccccc1.
What is the InChIKey of methyl N-methyl-N-phenylcarbamodithioate?
The InChIKey is DAFDBQCIBPFTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-10(9(11)12-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of methyl N-methyl-N-phenylcarbamodithioate?
methyl N-methyl-N-phenylcarbamodithioate has a molecular weight of 197.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-phenylcarbamodithioate is sourced from PubChem (CID 10888869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).