[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine

C5H10N2S — CID 144767038

IUPAC[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine
SMILESC=C/C(=C\SC)NN
InChIInChI=1S/C5H10N2S/c1-3-5(7-6)4-8-2/h3-4,7H,1,6H2,2H3/b5-4+
InChIKeyYWCGGSIKPAJMKH-SNAWJCMRSA-N
MW130.22 g/mol
LogP0.84
Rot. Bonds3

About [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine

[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine (PubChem CID 144767038) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine.

Molecular Properties

Compound Name[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine
PubChem CID144767038
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine
SMILESC=C/C(=C\SC)NN
InChIInChI=1S/C5H10N2S/c1-3-5(7-6)4-8-2/h3-4,7H,1,6H2,2H3/b5-4+
InChIKeyYWCGGSIKPAJMKH-SNAWJCMRSA-N
XLogP0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-methylsulfanylbuta-1,3-dien-2-amine
CID 155152094
(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
CID 178133797
(4Z)-4-(methylsulfanylmethylidene)hex-5-en-2-one
CID 142115180
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
N-[(2E)-2-(methylsulfanylmethylidene)but-3-enyl]acetamide
CID 143717677
ethane;[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hydrazine
CID 143703879
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
1,1,2-tris(methylsulfanyl)ethene
CID 597145
[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
CID 59490935
(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 170047480
1-methylsulfanylbut-1-en-2-amine
CID 163702090
3-hydrazinylbut-1-en-2-ylhydrazine
CID 174873142

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine?
The IUPAC name of [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine (CID 144767038) is [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine.
What is the SMILES notation for [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine?
The canonical SMILES for [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine is C=C/C(=C\SC)NN.
What is the InChIKey of [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine?
The InChIKey is YWCGGSIKPAJMKH-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10N2S/c1-3-5(7-6)4-8-2/h3-4,7H,1,6H2,2H3/b5-4+.
What are the key properties of [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine?
[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine has a molecular weight of 130.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine is sourced from PubChem (CID 144767038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).