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

C6H12N2O2S2 — CID 11458450

IUPACN,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
SMILESCN(C(=O)CS)N(C)C(=O)CS
InChIInChI=1S/C6H12N2O2S2/c1-7(5(9)3-11)8(2)6(10)4-12/h11-12H,3-4H2,1-2H3
InChIKeyCQAWAFDKTQPIHN-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.32
Rot. Bonds2

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

N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide (PubChem CID 11458450) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide.

Molecular Properties

Compound NameN,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
PubChem CID11458450
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC NameN,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
SMILESCN(C(=O)CS)N(C)C(=O)CS
InChIInChI=1S/C6H12N2O2S2/c1-7(5(9)3-11)8(2)6(10)4-12/h11-12H,3-4H2,1-2H3
InChIKeyCQAWAFDKTQPIHN-UHFFFAOYSA-N
XLogP-0.32
TPSA40.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.32
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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Related Compounds

5,6-Dimethyl-1,2,5,6-dithiadiazocane-4,7-dione
CID 10442981
N',N'-dimethyl-2-sulfanyl-N-(2-sulfanylacetyl)acetohydrazide
CID 88154404
deuteriomethane;N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
CID 159039426
N,N'-dimethyl-N'-(2-propan-2-ylsulfanylacetyl)-2-sulfanylacetohydrazide
CID 165377123

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
The IUPAC name of N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide (CID 11458450) is N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide.
What is the SMILES notation for N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
The canonical SMILES for N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide is CN(C(=O)CS)N(C)C(=O)CS.
What is the InChIKey of N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
The InChIKey is CQAWAFDKTQPIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-7(5(9)3-11)8(2)6(10)4-12/h11-12H,3-4H2,1-2H3.
What are the key properties of N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide?
N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide has a molecular weight of 208.31 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide is sourced from PubChem (CID 11458450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).