N-prop-1-enylsulfanylmethanimine

C4H7NS — CID 123521876

IUPACN-prop-1-enylsulfanylmethanimine
SMILESC=NSC=CC
InChIInChI=1S/C4H7NS/c1-3-4-6-5-2/h3-4H,2H2,1H3
InChIKeyXTTORRVJZFGMQH-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.87
Rot. Bonds2

About N-prop-1-enylsulfanylmethanimine

N-prop-1-enylsulfanylmethanimine (PubChem CID 123521876) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is N-prop-1-enylsulfanylmethanimine.

Molecular Properties

Compound NameN-prop-1-enylsulfanylmethanimine
PubChem CID123521876
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC NameN-prop-1-enylsulfanylmethanimine
SMILESC=NSC=CC
InChIInChI=1S/C4H7NS/c1-3-4-6-5-2/h3-4H,2H2,1H3
InChIKeyXTTORRVJZFGMQH-UHFFFAOYSA-N
XLogP1.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(prop-1-enyldisulfanyl)methanimine
CID 91501942
N-[(Z)-prop-1-enyl]sulfanylmethanimine
CID 129276884
N-[(Z)-but-1-enyl]sulfanylmethanimine
CID 139565663
methyl-[(Z)-prop-1-enyl]sulfanylazanide;rhenium
CID 163715943
N-[(Z)-pent-1-enyl]sulfanylmethanimine
CID 166866107
methyl-methylidene-[(Z)-prop-1-enyl]sulfanylazanium
CID 170034645

Frequently Asked Questions

What is the IUPAC name of N-prop-1-enylsulfanylmethanimine?
The IUPAC name of N-prop-1-enylsulfanylmethanimine (CID 123521876) is N-prop-1-enylsulfanylmethanimine.
What is the SMILES notation for N-prop-1-enylsulfanylmethanimine?
The canonical SMILES for N-prop-1-enylsulfanylmethanimine is C=NSC=CC.
What is the InChIKey of N-prop-1-enylsulfanylmethanimine?
The InChIKey is XTTORRVJZFGMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-3-4-6-5-2/h3-4H,2H2,1H3.
What are the key properties of N-prop-1-enylsulfanylmethanimine?
N-prop-1-enylsulfanylmethanimine has a molecular weight of 101.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylsulfanylmethanimine is sourced from PubChem (CID 123521876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).