(3Z)-3-(methylhydrazinylidene)butane-2-thione

C5H10N2S — CID 146613902

IUPAC(3Z)-3-(methylhydrazinylidene)butane-2-thione
SMILESCN/N=C(/C)C(C)=S
InChIInChI=1S/C5H10N2S/c1-4(5(2)8)7-6-3/h6H,1-3H3/b7-4-
InChIKeyWWKZLEOIXWCWLB-DAXSKMNVSA-N
MW130.22 g/mol
LogP0.97
Rot. Bonds2

About (3Z)-3-(methylhydrazinylidene)butane-2-thione

(3Z)-3-(methylhydrazinylidene)butane-2-thione (PubChem CID 146613902) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is (3Z)-3-(methylhydrazinylidene)butane-2-thione.

Molecular Properties

Compound Name(3Z)-3-(methylhydrazinylidene)butane-2-thione
PubChem CID146613902
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name(3Z)-3-(methylhydrazinylidene)butane-2-thione
SMILESCN/N=C(/C)C(C)=S
InChIInChI=1S/C5H10N2S/c1-4(5(2)8)7-6-3/h6H,1-3H3/b7-4-
InChIKeyWWKZLEOIXWCWLB-DAXSKMNVSA-N
XLogP0.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(methylhydrazinylidene)butane-2-thione?
The IUPAC name of (3Z)-3-(methylhydrazinylidene)butane-2-thione (CID 146613902) is (3Z)-3-(methylhydrazinylidene)butane-2-thione.
What is the SMILES notation for (3Z)-3-(methylhydrazinylidene)butane-2-thione?
The canonical SMILES for (3Z)-3-(methylhydrazinylidene)butane-2-thione is CN/N=C(/C)C(C)=S.
What is the InChIKey of (3Z)-3-(methylhydrazinylidene)butane-2-thione?
The InChIKey is WWKZLEOIXWCWLB-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(5(2)8)7-6-3/h6H,1-3H3/b7-4-.
What are the key properties of (3Z)-3-(methylhydrazinylidene)butane-2-thione?
(3Z)-3-(methylhydrazinylidene)butane-2-thione has a molecular weight of 130.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methylhydrazinylidene)butane-2-thione is sourced from PubChem (CID 146613902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).