(E,3S)-7-sulfanylhept-4-en-3-ol

C7H14OS — CID 141266458

IUPAC(E,3S)-7-sulfanylhept-4-en-3-ol
SMILESCC[C@H](O)/C=C/CCS
InChIInChI=1S/C7H14OS/c1-2-7(8)5-3-4-6-9/h3,5,7-9H,2,4,6H2,1H3/b5-3+/t7-/m0/s1
InChIKeyMVEBTXYNXDBCKJ-MZTFZBDOSA-N
MW146.25 g/mol
LogP1.63
Rot. Bonds4

About (E,3S)-7-sulfanylhept-4-en-3-ol

(E,3S)-7-sulfanylhept-4-en-3-ol (PubChem CID 141266458) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (E,3S)-7-sulfanylhept-4-en-3-ol.

Molecular Properties

Compound Name(E,3S)-7-sulfanylhept-4-en-3-ol
PubChem CID141266458
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(E,3S)-7-sulfanylhept-4-en-3-ol
SMILESCC[C@H](O)/C=C/CCS
InChIInChI=1S/C7H14OS/c1-2-7(8)5-3-4-6-9/h3,5,7-9H,2,4,6H2,1H3/b5-3+/t7-/m0/s1
InChIKeyMVEBTXYNXDBCKJ-MZTFZBDOSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hex-4-en-3-ol
CID 5366234
(A+/-)-trans-hex-4-en-3-ol
CID 11297938
(3R,4E)-4-Hexen-3-ol
CID 10855390
(Z)-hex-4-en-3-ol
CID 12465989
2-Hexene-4-OL
CID 20930
(E)-hept-4-en-3-ol
CID 10986188
(E,3R)-hept-4-en-3-ol
CID 11007865
Hept-4-en-3-ol
CID 54304315
(Z)-hept-4-en-3-ol
CID 11263489
(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263786
1-Thioethyl-1,6-octdien-3-yn-5-ol
CID 129802839
7-Trithiecan-9-ol
CID 132281330

Frequently Asked Questions

What is the IUPAC name of (E,3S)-7-sulfanylhept-4-en-3-ol?
The IUPAC name of (E,3S)-7-sulfanylhept-4-en-3-ol (CID 141266458) is (E,3S)-7-sulfanylhept-4-en-3-ol.
What is the SMILES notation for (E,3S)-7-sulfanylhept-4-en-3-ol?
The canonical SMILES for (E,3S)-7-sulfanylhept-4-en-3-ol is CC[C@H](O)/C=C/CCS.
What is the InChIKey of (E,3S)-7-sulfanylhept-4-en-3-ol?
The InChIKey is MVEBTXYNXDBCKJ-MZTFZBDOSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-7(8)5-3-4-6-9/h3,5,7-9H,2,4,6H2,1H3/b5-3+/t7-/m0/s1.
What are the key properties of (E,3S)-7-sulfanylhept-4-en-3-ol?
(E,3S)-7-sulfanylhept-4-en-3-ol has a molecular weight of 146.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-7-sulfanylhept-4-en-3-ol is sourced from PubChem (CID 141266458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).