(E)-but-1-ene-1-thiol

C4H8S — CID 19883204

IUPAC(E)-but-1-ene-1-thiol
SMILESCC/C=C/S
InChIInChI=1S/C4H8S/c1-2-3-4-5/h3-5H,2H2,1H3/b4-3+
InChIKeyLHASDYYYQWRSQC-ONEGZZNKSA-N
MW88.17 g/mol
LogP1.84
Rot. Bonds1

About (E)-but-1-ene-1-thiol

(E)-but-1-ene-1-thiol (PubChem CID 19883204) has the molecular formula C4H8S and a molecular weight of 88.17 g/mol. Its IUPAC name is (E)-but-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-but-1-ene-1-thiol
PubChem CID19883204
Molecular FormulaC4H8S
Molecular Weight88.17 g/mol
Exact Mass88.03
IUPAC Name(E)-but-1-ene-1-thiol
SMILESCC/C=C/S
InChIInChI=1S/C4H8S/c1-2-3-4-5/h3-5H,2H2,1H3/b4-3+
InChIKeyLHASDYYYQWRSQC-ONEGZZNKSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-1-ene-1-thiol?
The IUPAC name of (E)-but-1-ene-1-thiol (CID 19883204) is (E)-but-1-ene-1-thiol.
What is the SMILES notation for (E)-but-1-ene-1-thiol?
The canonical SMILES for (E)-but-1-ene-1-thiol is CC/C=C/S.
What is the InChIKey of (E)-but-1-ene-1-thiol?
The InChIKey is LHASDYYYQWRSQC-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8S/c1-2-3-4-5/h3-5H,2H2,1H3/b4-3+.
What are the key properties of (E)-but-1-ene-1-thiol?
(E)-but-1-ene-1-thiol has a molecular weight of 88.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-1-ene-1-thiol is sourced from PubChem (CID 19883204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).