2-ethenylsulfanylhex-1-en-3-ol

C8H14OS — CID 143714376

IUPAC2-ethenylsulfanylhex-1-en-3-ol
SMILESC=CSC(=C)C(O)CCC
InChIInChI=1S/C8H14OS/c1-4-6-8(9)7(3)10-5-2/h5,8-9H,2-4,6H2,1H3
InChIKeyQANAVUQOSZPFRY-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.54
Rot. Bonds5

About 2-ethenylsulfanylhex-1-en-3-ol

2-ethenylsulfanylhex-1-en-3-ol (PubChem CID 143714376) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-ethenylsulfanylhex-1-en-3-ol.

Molecular Properties

Compound Name2-ethenylsulfanylhex-1-en-3-ol
PubChem CID143714376
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-ethenylsulfanylhex-1-en-3-ol
SMILESC=CSC(=C)C(O)CCC
InChIInChI=1S/C8H14OS/c1-4-6-8(9)7(3)10-5-2/h5,8-9H,2-4,6H2,1H3
InChIKeyQANAVUQOSZPFRY-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxythiopyran, 2,3-dihydro-
CID 560299
(Z)-1,2-bis(methylsulfanyl)pent-1-en-3-ol
CID 11309862
5-(Methylsulfanyl)pent-1-en-3-ol
CID 46866736
2-Propyl-2,3-dihydrothiophen-3-ol
CID 57074691
2-(2-Methoxyethyl)-2,3-dihydrothiophen-3-ol
CID 57311025
(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
1-Methylsulfanylhex-5-en-2-ol
CID 64316572
5-Methylsulfanylpent-1-ene-2,3-diol
CID 89172226
2-(1-Hydroxyethyl)-2,3-dihydrothiophen-3-ol
CID 90799854
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
3-Ethenylsulfanylbut-3-en-2-ol
CID 123545678
5-Tert-butylsulfanyl-2-methylpent-1-en-3-ol
CID 167041779

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylhex-1-en-3-ol?
The IUPAC name of 2-ethenylsulfanylhex-1-en-3-ol (CID 143714376) is 2-ethenylsulfanylhex-1-en-3-ol.
What is the SMILES notation for 2-ethenylsulfanylhex-1-en-3-ol?
The canonical SMILES for 2-ethenylsulfanylhex-1-en-3-ol is C=CSC(=C)C(O)CCC.
What is the InChIKey of 2-ethenylsulfanylhex-1-en-3-ol?
The InChIKey is QANAVUQOSZPFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-4-6-8(9)7(3)10-5-2/h5,8-9H,2-4,6H2,1H3.
What are the key properties of 2-ethenylsulfanylhex-1-en-3-ol?
2-ethenylsulfanylhex-1-en-3-ol has a molecular weight of 158.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylhex-1-en-3-ol is sourced from PubChem (CID 143714376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).