dimethylamino(methyl)carbamodithioic acid

C4H10N2S2 — CID 18736477

IUPACdimethylamino(methyl)carbamodithioic acid
SMILESCN(C)N(C)C(=S)S
InChIInChI=1S/C4H10N2S2/c1-5(2)6(3)4(7)8/h1-3H3,(H,7,8)
InChIKeyLOCGBCZQZNMWET-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.61
Rot. Bonds1

About dimethylamino(methyl)carbamodithioic acid

dimethylamino(methyl)carbamodithioic acid (PubChem CID 18736477) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is dimethylamino(methyl)carbamodithioic acid.

Molecular Properties

Compound Namedimethylamino(methyl)carbamodithioic acid
PubChem CID18736477
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Namedimethylamino(methyl)carbamodithioic acid
SMILESCN(C)N(C)C(=S)S
InChIInChI=1S/C4H10N2S2/c1-5(2)6(3)4(7)8/h1-3H3,(H,7,8)
InChIKeyLOCGBCZQZNMWET-UHFFFAOYSA-N
XLogP0.61
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 54599967
CID 54599967
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
sodium dimethylcarbamodithioic acid
CID 19877808
cerium;dimethylcarbamodithioic acid
CID 174758864
disodium;dimethylcarbamodithioic acid;hydride
CID 174615347
methoxy(methyl)carbamodithioic acid
CID 14839544
carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc
CID 173305177
carbamodithioic acid;N',N'-dimethylethane-1,2-diamine
CID 174232024
iron(3+);tris(methyl-(4-methylphenyl)carbamodithioic acid)
CID 50909601
dimethylcarbamodithioic acid;prop-2-enenitrile
CID 175475389
CID 157101395
CID 157101395
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200

Frequently Asked Questions

What is the IUPAC name of dimethylamino(methyl)carbamodithioic acid?
The IUPAC name of dimethylamino(methyl)carbamodithioic acid (CID 18736477) is dimethylamino(methyl)carbamodithioic acid.
What is the SMILES notation for dimethylamino(methyl)carbamodithioic acid?
The canonical SMILES for dimethylamino(methyl)carbamodithioic acid is CN(C)N(C)C(=S)S.
What is the InChIKey of dimethylamino(methyl)carbamodithioic acid?
The InChIKey is LOCGBCZQZNMWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S2/c1-5(2)6(3)4(7)8/h1-3H3,(H,7,8).
What are the key properties of dimethylamino(methyl)carbamodithioic acid?
dimethylamino(methyl)carbamodithioic acid has a molecular weight of 150.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(methyl)carbamodithioic acid is sourced from PubChem (CID 18736477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).