(E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol

C10H11ClOS — CID 44604025

IUPAC(E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol
SMILESOC/C=C/CSc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOS/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h1-6,12H,7-8H2/b2-1+
InChIKeyRQIDGXDSWGVRKI-OWOJBTEDSA-N
MW214.72 g/mol
LogP2.98
Rot. Bonds4

About (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol

(E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol (PubChem CID 44604025) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol
PubChem CID44604025
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name(E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol
SMILESOC/C=C/CSc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOS/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h1-6,12H,7-8H2/b2-1+
InChIKeyRQIDGXDSWGVRKI-OWOJBTEDSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
The IUPAC name of (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol (CID 44604025) is (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol is OC/C=C/CSc1ccc(Cl)cc1.
What is the InChIKey of (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
The InChIKey is RQIDGXDSWGVRKI-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h1-6,12H,7-8H2/b2-1+.
What are the key properties of (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
(E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol has a molecular weight of 214.72 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-chlorophenyl)sulfanylbut-2-en-1-ol is sourced from PubChem (CID 44604025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).