dimethylcarbamodithioic acid

C3H7NS2 — CID 6599

IUPACdimethylcarbamodithioic acid
SMILESCN(C)C(=S)S
InChIInChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
InChIKeyMZGNSEAPZQGJRB-UHFFFAOYSA-N
MW121.23 g/mol
LogP0.76
Rot. Bonds

About dimethylcarbamodithioic acid

dimethylcarbamodithioic acid (PubChem CID 6599) has the molecular formula C3H7NS2 and a molecular weight of 121.23 g/mol. Its IUPAC name is dimethylcarbamodithioic acid.

Molecular Properties

Compound Namedimethylcarbamodithioic acid
PubChem CID6599
Molecular FormulaC3H7NS2
Molecular Weight121.23 g/mol
Exact Mass121.00
IUPAC Namedimethylcarbamodithioic acid
SMILESCN(C)C(=S)S
InChIInChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
InChIKeyMZGNSEAPZQGJRB-UHFFFAOYSA-N
XLogP0.76
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Sodium Dimethyldithiocarbamate
CID 560256
Potassium dimethyldithiocarbamate
CID 23662387
Dimethyldithiocarbamate
CID 3566770
Dimethylcarbamodithioic acid;iron
CID 54611956
N,N-Dimethyldithiocarbamate sodium salt
CID 19877808
Dimethylcarbamodithioic acid; ZINC
CID 459180
lithium N,N-dimethylcarbamodithioate
CID 23716764
N,N-dimethylcarbamodithioate;technetium-99
CID 450159
CID 5358115
CID 5358115
Thallium(i) dimethyldithiocarbamate
CID 129697931
Gold(i) dimethyldithiocarbamate
CID 129816509
Dimethyl dithiocarbamate--copper
CID 129821078

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamodithioic acid?
The IUPAC name of dimethylcarbamodithioic acid (CID 6599) is dimethylcarbamodithioic acid.
What is the SMILES notation for dimethylcarbamodithioic acid?
The canonical SMILES for dimethylcarbamodithioic acid is CN(C)C(=S)S.
What is the InChIKey of dimethylcarbamodithioic acid?
The InChIKey is MZGNSEAPZQGJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6).
What are the key properties of dimethylcarbamodithioic acid?
dimethylcarbamodithioic acid has a molecular weight of 121.23 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamodithioic acid is sourced from PubChem (CID 6599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).