(E)-3-ethenylsulfanylpent-3-en-1-ol

C7H12OS — CID 118297060

IUPAC(E)-3-ethenylsulfanylpent-3-en-1-ol
SMILESC=CS/C(=C/C)CCO
InChIInChI=1S/C7H12OS/c1-3-7(5-6-8)9-4-2/h3-4,8H,2,5-6H2,1H3/b7-3+
InChIKeyKNOLSEUGHZLCMT-XVNBXDOJSA-N
MW144.24 g/mol
LogP2.15
Rot. Bonds4

About (E)-3-ethenylsulfanylpent-3-en-1-ol

(E)-3-ethenylsulfanylpent-3-en-1-ol (PubChem CID 118297060) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (E)-3-ethenylsulfanylpent-3-en-1-ol.

Molecular Properties

Compound Name(E)-3-ethenylsulfanylpent-3-en-1-ol
PubChem CID118297060
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(E)-3-ethenylsulfanylpent-3-en-1-ol
SMILESC=CS/C(=C/C)CCO
InChIInChI=1S/C7H12OS/c1-3-7(5-6-8)9-4-2/h3-4,8H,2,5-6H2,1H3/b7-3+
InChIKeyKNOLSEUGHZLCMT-XVNBXDOJSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenylsulfanylpent-3-en-1-ol?
The IUPAC name of (E)-3-ethenylsulfanylpent-3-en-1-ol (CID 118297060) is (E)-3-ethenylsulfanylpent-3-en-1-ol.
What is the SMILES notation for (E)-3-ethenylsulfanylpent-3-en-1-ol?
The canonical SMILES for (E)-3-ethenylsulfanylpent-3-en-1-ol is C=CS/C(=C/C)CCO.
What is the InChIKey of (E)-3-ethenylsulfanylpent-3-en-1-ol?
The InChIKey is KNOLSEUGHZLCMT-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-7(5-6-8)9-4-2/h3-4,8H,2,5-6H2,1H3/b7-3+.
What are the key properties of (E)-3-ethenylsulfanylpent-3-en-1-ol?
(E)-3-ethenylsulfanylpent-3-en-1-ol has a molecular weight of 144.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenylsulfanylpent-3-en-1-ol is sourced from PubChem (CID 118297060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).