[dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate

C7H14N2S4 — CID 88951144

IUPAC[dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate
SMILESC=S=C(SSC(=S)N(C)C)N(C)C
InChIInChI=1S/C7H14N2S4/c1-8(2)6(10)12-13-7(11-5)9(3)4/h5H2,1-4H3
InChIKeyBLHLBNSUHAMZLB-UHFFFAOYSA-N
MW254.47 g/mol
LogP2.03
Rot. Bonds

About [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate

[dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate (PubChem CID 88951144) has the molecular formula C7H14N2S4 and a molecular weight of 254.47 g/mol. Its IUPAC name is [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate
PubChem CID88951144
Molecular FormulaC7H14N2S4
Molecular Weight254.47 g/mol
Exact Mass254.00
IUPAC Name[dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate
SMILESC=S=C(SSC(=S)N(C)C)N(C)C
InChIInChI=1S/C7H14N2S4/c1-8(2)6(10)12-13-7(11-5)9(3)4/h5H2,1-4H3
InChIKeyBLHLBNSUHAMZLB-UHFFFAOYSA-N
XLogP2.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate?
The IUPAC name of [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate (CID 88951144) is [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate?
The canonical SMILES for [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate is C=S=C(SSC(=S)N(C)C)N(C)C.
What is the InChIKey of [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate?
The InChIKey is BLHLBNSUHAMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S4/c1-8(2)6(10)12-13-7(11-5)9(3)4/h5H2,1-4H3.
What are the key properties of [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate?
[dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate has a molecular weight of 254.47 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 88951144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).