(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol

C7H14OS — CID 143165372

IUPAC(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol
SMILESC/C=C\C(CC)C(O)S
InChIInChI=1S/C7H14OS/c1-3-5-6(4-2)7(8)9/h3,5-9H,4H2,1-2H3/b5-3-
InChIKeyZMRZCQRFYGRCBT-HYXAFXHYSA-N
MW146.25 g/mol
LogP1.84
Rot. Bonds3

About (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol

(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol (PubChem CID 143165372) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol
PubChem CID143165372
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol
SMILESC/C=C\C(CC)C(O)S
InChIInChI=1S/C7H14OS/c1-3-5-6(4-2)7(8)9/h3,5-9H,4H2,1-2H3/b5-3-
InChIKeyZMRZCQRFYGRCBT-HYXAFXHYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-4-en-3-ol
CID 5366234
(E)-2-ethyl-3-methylhex-4-enal
CID 15312272
(Z)-3-ethyl-2-methylhex-4-enal
CID 143572943
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
(3S,5S)-oct-6-ene-3,5-diol
CID 91195913
butan-2-ol;but-2-ene
CID 157060914
4-ethyl-5-methyldec-2-ene
CID 91156622
4-propan-2-ylhept-2-ene
CID 54114231
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
pent-3-ene-2-thiol
CID 11072706
methane;(E,4R)-4-propan-2-ylhept-2-ene
CID 158370601
(E)-2-ethylpent-3-enoic acid
CID 12678748

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol?
The IUPAC name of (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol (CID 143165372) is (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol.
What is the SMILES notation for (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol?
The canonical SMILES for (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol is C/C=C\C(CC)C(O)S.
What is the InChIKey of (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol?
The InChIKey is ZMRZCQRFYGRCBT-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-5-6(4-2)7(8)9/h3,5-9H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol?
(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol has a molecular weight of 146.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-1-sulfanylpent-3-en-1-ol is sourced from PubChem (CID 143165372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).