(E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol

C8H16OS2 — CID 24973882

IUPAC(E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol
SMILESCCC(O)C(/C=C/SC)SC
InChIInChI=1S/C8H16OS2/c1-4-7(9)8(11-3)5-6-10-2/h5-9H,4H2,1-3H3/b6-5+
InChIKeyICCXUBLLXKAWGM-AATRIKPKSA-N
MW192.35 g/mol
LogP2.37
Rot. Bonds5

About (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol

(E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol (PubChem CID 24973882) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol.

Molecular Properties

Compound Name(E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol
PubChem CID24973882
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name(E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol
SMILESCCC(O)C(/C=C/SC)SC
InChIInChI=1S/C8H16OS2/c1-4-7(9)8(11-3)5-6-10-2/h5-9H,4H2,1-3H3/b6-5+
InChIKeyICCXUBLLXKAWGM-AATRIKPKSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 11117182
4-Penten-2-ol, 5-(methylthio)-, (Z)-
CID 5368119
5-(Methylthio)-4-penten-2-ol
CID 560393
2-Methyl-4-propan-2-ylsulfanylhex-5-en-3-ol
CID 13025028
(E)-2-methyl-6-propan-2-ylsulfanylhex-5-en-3-ol
CID 13263784
(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 101526097
4-Propan-2-ylsulfanylhex-5-en-3-ol
CID 134906015
(E)-6-propan-2-ylsulfanylhex-5-en-3-ol
CID 134906046
(E)-1-propan-2-ylsulfanyloct-1-en-4-ol
CID 134906210
3-Propan-2-ylsulfanyloct-1-en-4-ol
CID 134978989
Tert-butyl 3-hydroxyhex-5-enedithioate
CID 134988679
Cyclohexyl 3-hydroxyhex-5-enedithioate
CID 134988724

Frequently Asked Questions

What is the IUPAC name of (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol?
The IUPAC name of (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol (CID 24973882) is (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol.
What is the SMILES notation for (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol?
The canonical SMILES for (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol is CCC(O)C(/C=C/SC)SC.
What is the InChIKey of (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol?
The InChIKey is ICCXUBLLXKAWGM-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16OS2/c1-4-7(9)8(11-3)5-6-10-2/h5-9H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol?
(E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol has a molecular weight of 192.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,6-bis(methylsulfanyl)hex-5-en-3-ol is sourced from PubChem (CID 24973882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).