(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane

C8H17NS — CID 143767397

IUPAC(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane
SMILESC/C=N\S/C(C)=C\C.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-6(3)8-7-5-2;1-2/h4-5H,1-3H3;1-2H3/b6-4-,7-5-;
InChIKeyFXZBWUSSSFQGJY-ISOJEIHBSA-N
MW159.30 g/mol
LogP3.68
Rot. Bonds2

About (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane

(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane (PubChem CID 143767397) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane.

Molecular Properties

Compound Name(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane
PubChem CID143767397
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane
SMILESC/C=N\S/C(C)=C\C.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-6(3)8-7-5-2;1-2/h4-5H,1-3H3;1-2H3/b6-4-,7-5-;
InChIKeyFXZBWUSSSFQGJY-ISOJEIHBSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 53.68
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 (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane?
The IUPAC name of (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane (CID 143767397) is (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane.
What is the SMILES notation for (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane?
The canonical SMILES for (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane is C/C=N\S/C(C)=C\C.CC.
What is the InChIKey of (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane?
The InChIKey is FXZBWUSSSFQGJY-ISOJEIHBSA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-4-6(3)8-7-5-2;1-2/h4-5H,1-3H3;1-2H3/b6-4-,7-5-;.
What are the key properties of (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane?
(Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane has a molecular weight of 159.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-but-2-en-2-yl]sulfanylethanimine;ethane is sourced from PubChem (CID 143767397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).