N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine

C7H13NS — CID 138570372

IUPACN-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine
SMILESC=N/C=C(/C)SC(C)C
InChIInChI=1S/C7H13NS/c1-6(2)9-7(3)5-8-4/h5-6H,4H2,1-3H3/b7-5-
InChIKeyUKQXNZJLNBRNIT-ALCCZGGFSA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds3

About N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine

N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine (PubChem CID 138570372) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine
PubChem CID138570372
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine
SMILESC=N/C=C(/C)SC(C)C
InChIInChI=1S/C7H13NS/c1-6(2)9-7(3)5-8-4/h5-6H,4H2,1-3H3/b7-5-
InChIKeyUKQXNZJLNBRNIT-ALCCZGGFSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.69
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

N-[(Z)-2-ethenylsulfanylprop-1-enyl]methanimine
CID 89337888
N-[(Z)-2-methylsulfanylprop-1-enyl]methanimine
CID 89339741
N-[(Z)-2-methylsulfanylbut-1-enyl]methanimine
CID 117640487
ethyl N-prop-1-enylmethanimidothioate
CID 123467621
N-(2-ethylsulfanylprop-1-enyl)methanimine
CID 123725369
2-Methyl-1-thia-4-azacyclohexa-2,4,5-triene
CID 126724771
N-(2-ethylsulfanylprop-2-enyl)methanimine
CID 129147822
N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine
CID 129194179
6-methyl-2H-1,4-thiazine
CID 130413107
N-[(Z)-2-ethylsulfanylprop-1-enyl]methanimine
CID 139500061
N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine
CID 142031514
Ethane;1-thia-3-azacyclohexa-2,4,5-triene
CID 142049521

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine?
The IUPAC name of N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine (CID 138570372) is N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine is C=N/C=C(/C)SC(C)C.
What is the InChIKey of N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine?
The InChIKey is UKQXNZJLNBRNIT-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)9-7(3)5-8-4/h5-6H,4H2,1-3H3/b7-5-.
What are the key properties of N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine?
N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine has a molecular weight of 143.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine is sourced from PubChem (CID 138570372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).