methylsulfinylmethyl N,N-dimethylcarbamodithioate

C5H11NOS3 — CID 134917440

IUPACmethylsulfinylmethyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCS(C)=O
InChIInChI=1S/C5H11NOS3/c1-6(2)5(8)9-4-10(3)7/h4H2,1-3H3
InChIKeyGARRTYUREYVHID-UHFFFAOYSA-N
MW197.35 g/mol
LogP0.90
Rot. Bonds2

About methylsulfinylmethyl N,N-dimethylcarbamodithioate

methylsulfinylmethyl N,N-dimethylcarbamodithioate (PubChem CID 134917440) has the molecular formula C5H11NOS3 and a molecular weight of 197.35 g/mol. Its IUPAC name is methylsulfinylmethyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namemethylsulfinylmethyl N,N-dimethylcarbamodithioate
PubChem CID134917440
Molecular FormulaC5H11NOS3
Molecular Weight197.35 g/mol
Exact Mass197.00
IUPAC Namemethylsulfinylmethyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCS(C)=O
InChIInChI=1S/C5H11NOS3/c1-6(2)5(8)9-4-10(3)7/h4H2,1-3H3
InChIKeyGARRTYUREYVHID-UHFFFAOYSA-N
XLogP0.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methylsulfinylmethyl N,N-dimethylcarbamodithioate?
The IUPAC name of methylsulfinylmethyl N,N-dimethylcarbamodithioate (CID 134917440) is methylsulfinylmethyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for methylsulfinylmethyl N,N-dimethylcarbamodithioate?
The canonical SMILES for methylsulfinylmethyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SCS(C)=O.
What is the InChIKey of methylsulfinylmethyl N,N-dimethylcarbamodithioate?
The InChIKey is GARRTYUREYVHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS3/c1-6(2)5(8)9-4-10(3)7/h4H2,1-3H3.
What are the key properties of methylsulfinylmethyl N,N-dimethylcarbamodithioate?
methylsulfinylmethyl N,N-dimethylcarbamodithioate has a molecular weight of 197.35 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 134917440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).