N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine

C8H13NS — CID 145282557

IUPACN-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine
SMILESC/C=C/S/C=C(C)\N=C\C
InChIInChI=1S/C8H13NS/c1-4-6-10-7-8(3)9-5-2/h4-7H,1-3H3/b6-4+,8-7-,9-5+
InChIKeyFAYQTQQOAYHXJC-UWHZTKNMSA-N
MW155.27 g/mol
LogP3.21
Rot. Bonds3

About N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine

N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine (PubChem CID 145282557) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine
PubChem CID145282557
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine
SMILESC/C=C/S/C=C(C)\N=C\C
InChIInChI=1S/C8H13NS/c1-4-6-10-7-8(3)9-5-2/h4-7H,1-3H3/b6-4+,8-7-,9-5+
InChIKeyFAYQTQQOAYHXJC-UWHZTKNMSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Propyl-1,4-thiazepine
CID 57125762
(Z)-2-(ethylideneamino)prop-1-ene-1,3-dithiol
CID 89738292
(Z)-2-(ethylideneamino)prop-1-ene-1-thiol
CID 89980898
Ethane;2-methylidene-1,3-thiazine
CID 91381048
N-(1-methylsulfanylprop-1-en-2-yl)ethanimine
CID 123269984
N-[[dimethyl(prop-2-enylidene)-lambda6-sulfanylidene]methyl]ethanimine
CID 123303961
N-(2-prop-1-enylsulfanylethenyl)ethanimine
CID 123338893
N-(1-methylsulfanylethenyl)prop-2-en-1-imine
CID 123510710
(E)-3-(ethylideneamino)but-2-ene-1-thiol
CID 123746264
N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine
CID 130346542
N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
CID 130370297
5-methyl-2H-1,4-thiazine
CID 134180357

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine (CID 145282557) is N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine is C/C=C/S/C=C(C)\N=C\C.
What is the InChIKey of N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine?
The InChIKey is FAYQTQQOAYHXJC-UWHZTKNMSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-6-10-7-8(3)9-5-2/h4-7H,1-3H3/b6-4+,8-7-,9-5+.
What are the key properties of N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine?
N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine has a molecular weight of 155.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(E)-prop-1-enyl]sulfanylprop-1-en-2-yl]ethanimine is sourced from PubChem (CID 145282557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).