deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide

C7H16N2O2S2 — CID 159039426

IUPACdeuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
SMILESCN(C(=O)CS)N(C)C(=O)CS.[2H]C
InChIInChI=1S/C6H12N2O2S2.CH4/c1-7(5(9)3-11)8(2)6(10)4-12;/h11-12H,3-4H2,1-2H3;1H4/i;1D
InChIKeyJVWDBEVXOCVTMV-DIYDOPDJSA-N
MW225.36 g/mol
LogP0.31
Rot. Bonds2

About deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide

deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide (PubChem CID 159039426) has the molecular formula C7H16N2O2S2 and a molecular weight of 225.36 g/mol. Its IUPAC name is deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide.

Molecular Properties

Compound Namedeuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
PubChem CID159039426
Molecular FormulaC7H16N2O2S2
Molecular Weight225.36 g/mol
Exact Mass225.07
IUPAC Namedeuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
SMILESCN(C(=O)CS)N(C)C(=O)CS.[2H]C
InChIInChI=1S/C6H12N2O2S2.CH4/c1-7(5(9)3-11)8(2)6(10)4-12;/h11-12H,3-4H2,1-2H3;1H4/i;1D
InChIKeyJVWDBEVXOCVTMV-DIYDOPDJSA-N
XLogP0.31
TPSA40.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
The IUPAC name of deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide (CID 159039426) is deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide.
What is the SMILES notation for deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
The canonical SMILES for deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide is CN(C(=O)CS)N(C)C(=O)CS.[2H]C.
What is the InChIKey of deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
The InChIKey is JVWDBEVXOCVTMV-DIYDOPDJSA-N. The full InChI is InChI=1S/C6H12N2O2S2.CH4/c1-7(5(9)3-11)8(2)6(10)4-12;/h11-12H,3-4H2,1-2H3;1H4/i;1D.
What are the key properties of deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide has a molecular weight of 225.36 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide is sourced from PubChem (CID 159039426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).