1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine

C5H11N3O2S — CID 3722803

IUPAC1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine
SMILESCSC(=C[N+](=O)[O-])NN(C)C
InChIInChI=1S/C5H11N3O2S/c1-7(2)6-5(11-3)4-8(9)10/h4,6H,1-3H3
InChIKeyQAUBTIIOIQMXCV-UHFFFAOYSA-N
MW177.23 g/mol
LogP0.49
Rot. Bonds4

About 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine

1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine (PubChem CID 3722803) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine
PubChem CID3722803
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine
SMILESCSC(=C[N+](=O)[O-])NN(C)C
InChIInChI=1S/C5H11N3O2S/c1-7(2)6-5(11-3)4-8(9)10/h4,6H,1-3H3
InChIKeyQAUBTIIOIQMXCV-UHFFFAOYSA-N
XLogP0.49
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine?
The IUPAC name of 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine (CID 3722803) is 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine?
The canonical SMILES for 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine is CSC(=C[N+](=O)[O-])NN(C)C.
What is the InChIKey of 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine?
The InChIKey is QAUBTIIOIQMXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-7(2)6-5(11-3)4-8(9)10/h4,6H,1-3H3.
What are the key properties of 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine?
1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine has a molecular weight of 177.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(1-methylsulfanyl-2-nitroethenyl)hydrazine is sourced from PubChem (CID 3722803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).