(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane

C7H13NS — CID 145271242

IUPAC(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane
SMILESC=C/C(C)=C\C=N\C.S
InChIInChI=1S/C7H11N.H2S/c1-4-7(2)5-6-8-3;/h4-6H,1H2,2-3H3;1H2/b7-5-,8-6+;
InChIKeyJYXJBENNNJNCNL-KHCQPJBVSA-N
MW143.25 g/mol
LogP1.93
Rot. Bonds2

About (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane

(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane (PubChem CID 145271242) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane.

Molecular Properties

Compound Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane
PubChem CID145271242
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane
SMILESC=C/C(C)=C\C=N\C.S
InChIInChI=1S/C7H11N.H2S/c1-4-7(2)5-6-8-3;/h4-6H,1H2,2-3H3;1H2/b7-5-,8-6+;
InChIKeyJYXJBENNNJNCNL-KHCQPJBVSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Aza-2,4,6-heptatriene
CID 59945193
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
CID 123834038
(2Z)-N-fluoro-3-methylpenta-2,4-dien-1-imine
CID 143887774
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
3-prop-1-enyl-2H-pyrrole
CID 58451432
N-methylhexa-2,4-dien-1-imine
CID 58618417
(2E,4E)-N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 60138488
5-methyl-2H-azepine
CID 68207866
4-methyl-2H-azepine
CID 70312301
N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 72660193
(2Z)-N,2-dimethylpenta-2,4-dien-1-imine
CID 88225870

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane?
The IUPAC name of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane (CID 145271242) is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane.
What is the SMILES notation for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane?
The canonical SMILES for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane is C=C/C(C)=C\C=N\C.S.
What is the InChIKey of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane?
The InChIKey is JYXJBENNNJNCNL-KHCQPJBVSA-N. The full InChI is InChI=1S/C7H11N.H2S/c1-4-7(2)5-6-8-3;/h4-6H,1H2,2-3H3;1H2/b7-5-,8-6+;.
What are the key properties of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane?
(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane has a molecular weight of 143.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;sulfane is sourced from PubChem (CID 145271242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).