phenyl N,N-dimethylcarbamodithioate

C9H11NS2 — CID 11063386

IUPACphenyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccccc1
InChIInChI=1S/C9H11NS2/c1-10(2)9(11)12-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyVDTMZOGUQFEWED-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.63
Rot. Bonds1

About phenyl N,N-dimethylcarbamodithioate

phenyl N,N-dimethylcarbamodithioate (PubChem CID 11063386) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is phenyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namephenyl N,N-dimethylcarbamodithioate
PubChem CID11063386
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Namephenyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccccc1
InChIInChI=1S/C9H11NS2/c1-10(2)9(11)12-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyVDTMZOGUQFEWED-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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 phenyl N,N-dimethylcarbamodithioate?
The IUPAC name of phenyl N,N-dimethylcarbamodithioate (CID 11063386) is phenyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for phenyl N,N-dimethylcarbamodithioate?
The canonical SMILES for phenyl N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1ccccc1.
What is the InChIKey of phenyl N,N-dimethylcarbamodithioate?
The InChIKey is VDTMZOGUQFEWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-10(2)9(11)12-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of phenyl N,N-dimethylcarbamodithioate?
phenyl N,N-dimethylcarbamodithioate has a molecular weight of 197.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 11063386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).