N-[(Z)-prop-1-enyl]sulfanylmethanimine

C4H7NS — CID 129276884

IUPACN-[(Z)-prop-1-enyl]sulfanylmethanimine
SMILESC=NS/C=C\C
InChIInChI=1S/C4H7NS/c1-3-4-6-5-2/h3-4H,2H2,1H3/b4-3-
InChIKeyXTTORRVJZFGMQH-ARJAWSKDSA-N
MW101.17 g/mol
LogP1.87
Rot. Bonds2

About N-[(Z)-prop-1-enyl]sulfanylmethanimine

N-[(Z)-prop-1-enyl]sulfanylmethanimine (PubChem CID 129276884) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]sulfanylmethanimine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]sulfanylmethanimine
PubChem CID129276884
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC NameN-[(Z)-prop-1-enyl]sulfanylmethanimine
SMILESC=NS/C=C\C
InChIInChI=1S/C4H7NS/c1-3-4-6-5-2/h3-4H,2H2,1H3/b4-3-
InChIKeyXTTORRVJZFGMQH-ARJAWSKDSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]sulfanylmethanimine?
The IUPAC name of N-[(Z)-prop-1-enyl]sulfanylmethanimine (CID 129276884) is N-[(Z)-prop-1-enyl]sulfanylmethanimine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]sulfanylmethanimine?
The canonical SMILES for N-[(Z)-prop-1-enyl]sulfanylmethanimine is C=NS/C=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]sulfanylmethanimine?
The InChIKey is XTTORRVJZFGMQH-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H7NS/c1-3-4-6-5-2/h3-4H,2H2,1H3/b4-3-.
What are the key properties of N-[(Z)-prop-1-enyl]sulfanylmethanimine?
N-[(Z)-prop-1-enyl]sulfanylmethanimine 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-[(Z)-prop-1-enyl]sulfanylmethanimine is sourced from PubChem (CID 129276884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).