(dimethylamino)methylcarbamodithioic acid

C4H10N2S2 — CID 3705844

IUPAC(dimethylamino)methylcarbamodithioic acid
SMILESCN(C)CNC(=S)S
InChIInChI=1S/C4H10N2S2/c1-6(2)3-5-4(7)8/h3H2,1-2H3,(H2,5,7,8)
InChIKeyDLRDJBGQSKHUTE-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.31
Rot. Bonds2

About (dimethylamino)methylcarbamodithioic acid

(dimethylamino)methylcarbamodithioic acid (PubChem CID 3705844) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is (dimethylamino)methylcarbamodithioic acid.

Molecular Properties

Compound Name(dimethylamino)methylcarbamodithioic acid
PubChem CID3705844
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name(dimethylamino)methylcarbamodithioic acid
SMILESCN(C)CNC(=S)S
InChIInChI=1S/C4H10N2S2/c1-6(2)3-5-4(7)8/h3H2,1-2H3,(H2,5,7,8)
InChIKeyDLRDJBGQSKHUTE-UHFFFAOYSA-N
XLogP0.31
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methylcarbamodithioic acid?
The IUPAC name of (dimethylamino)methylcarbamodithioic acid (CID 3705844) is (dimethylamino)methylcarbamodithioic acid.
What is the SMILES notation for (dimethylamino)methylcarbamodithioic acid?
The canonical SMILES for (dimethylamino)methylcarbamodithioic acid is CN(C)CNC(=S)S.
What is the InChIKey of (dimethylamino)methylcarbamodithioic acid?
The InChIKey is DLRDJBGQSKHUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S2/c1-6(2)3-5-4(7)8/h3H2,1-2H3,(H2,5,7,8).
What are the key properties of (dimethylamino)methylcarbamodithioic acid?
(dimethylamino)methylcarbamodithioic acid has a molecular weight of 150.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methylcarbamodithioic acid is sourced from PubChem (CID 3705844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).