(2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol

C7H10OS — CID 143508047

IUPAC(2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol
SMILESC=C/C=C(S)\C=C/CO
InChIInChI=1S/C7H10OS/c1-2-4-7(9)5-3-6-8/h2-5,8-9H,1,6H2/b5-3-,7-4+
InChIKeySRIUCMDMQWJCJI-XKSOLRDRSA-N
MW142.22 g/mol
LogP1.53
Rot. Bonds3

About (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol

(2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol (PubChem CID 143508047) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol
PubChem CID143508047
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name(2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol
SMILESC=C/C=C(S)\C=C/CO
InChIInChI=1S/C7H10OS/c1-2-4-7(9)5-3-6-8/h2-5,8-9H,1,6H2/b5-3-,7-4+
InChIKeySRIUCMDMQWJCJI-XKSOLRDRSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
CID 89344777
(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol
CID 126727970
ethane;(3E)-hexa-1,3,5-triene-3-thiol
CID 144755251
(2E,6E)-4,5-bis[(E)-3-hydroxyprop-1-enyl]octa-2,4,6-triene-1,8-diol
CID 102532219
(2E)-penta-2,4-diene-1,4-diol
CID 87933185
(2Z)-4-fluoropenta-2,4-dien-1-ol
CID 147076442
[(3E,5Z)-7-hydroxyhepta-1,3,5-trien-4-yl] 2,3,3-trimethyl-2-propan-2-ylbutanoate
CID 89305063
(2Z,4E)-4-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methoxy]hepta-2,4,6-trien-1-ol
CID 166983599
penta-2,4-diene-1,2-diol
CID 150489968
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol
CID 142164581

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol?
The IUPAC name of (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol (CID 143508047) is (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol?
The canonical SMILES for (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol is C=C/C=C(S)\C=C/CO.
What is the InChIKey of (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol?
The InChIKey is SRIUCMDMQWJCJI-XKSOLRDRSA-N. The full InChI is InChI=1S/C7H10OS/c1-2-4-7(9)5-3-6-8/h2-5,8-9H,1,6H2/b5-3-,7-4+.
What are the key properties of (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol?
(2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol has a molecular weight of 142.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol is sourced from PubChem (CID 143508047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).