methyl N-(iminomethylidene)carbamodithioate

C3H4N2S2 — CID 135450336

IUPACmethyl N-(iminomethylidene)carbamodithioate
SMILESCSC(=S)N=C=N
InChIInChI=1S/C3H4N2S2/c1-7-3(6)5-2-4/h4H,1H3
InChIKeyZPJOXQYPWWWPOZ-UHFFFAOYSA-N
MW132.21 g/mol
LogP1.39
Rot. Bonds

About methyl N-(iminomethylidene)carbamodithioate

methyl N-(iminomethylidene)carbamodithioate (PubChem CID 135450336) has the molecular formula C3H4N2S2 and a molecular weight of 132.21 g/mol. Its IUPAC name is methyl N-(iminomethylidene)carbamodithioate.

Molecular Properties

Compound Namemethyl N-(iminomethylidene)carbamodithioate
PubChem CID135450336
Molecular FormulaC3H4N2S2
Molecular Weight132.21 g/mol
Exact Mass131.98
IUPAC Namemethyl N-(iminomethylidene)carbamodithioate
SMILESCSC(=S)N=C=N
InChIInChI=1S/C3H4N2S2/c1-7-3(6)5-2-4/h4H,1H3
InChIKeyZPJOXQYPWWWPOZ-UHFFFAOYSA-N
XLogP1.39
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(iminomethylidene)carbamodithioate?
The IUPAC name of methyl N-(iminomethylidene)carbamodithioate (CID 135450336) is methyl N-(iminomethylidene)carbamodithioate.
What is the SMILES notation for methyl N-(iminomethylidene)carbamodithioate?
The canonical SMILES for methyl N-(iminomethylidene)carbamodithioate is CSC(=S)N=C=N.
What is the InChIKey of methyl N-(iminomethylidene)carbamodithioate?
The InChIKey is ZPJOXQYPWWWPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S2/c1-7-3(6)5-2-4/h4H,1H3.
What are the key properties of methyl N-(iminomethylidene)carbamodithioate?
methyl N-(iminomethylidene)carbamodithioate has a molecular weight of 132.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(iminomethylidene)carbamodithioate is sourced from PubChem (CID 135450336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).