methyl N,N-dimethylcarbamodithioate

C4H9NS2 — CID 19526

IUPACmethyl N,N-dimethylcarbamodithioate
SMILESCSC(=S)N(C)C
InChIInChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
InChIKeyNBBZMDUHKWRYSZ-UHFFFAOYSA-N
MW135.26 g/mol
LogP1.20
Rot. Bonds

About methyl N,N-dimethylcarbamodithioate

methyl N,N-dimethylcarbamodithioate (PubChem CID 19526) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is methyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namemethyl N,N-dimethylcarbamodithioate
PubChem CID19526
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Namemethyl N,N-dimethylcarbamodithioate
SMILESCSC(=S)N(C)C
InChIInChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
InChIKeyNBBZMDUHKWRYSZ-UHFFFAOYSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 51.20
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,N-dimethylcarbamodithioate?
The IUPAC name of methyl N,N-dimethylcarbamodithioate (CID 19526) is methyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for methyl N,N-dimethylcarbamodithioate?
The canonical SMILES for methyl N,N-dimethylcarbamodithioate is CSC(=S)N(C)C.
What is the InChIKey of methyl N,N-dimethylcarbamodithioate?
The InChIKey is NBBZMDUHKWRYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3.
What are the key properties of methyl N,N-dimethylcarbamodithioate?
methyl N,N-dimethylcarbamodithioate has a molecular weight of 135.26 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 19526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).