(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol

C7H10OS — CID 143019199

IUPAC(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)SC
InChIInChI=1S/C7H10OS/c1-6(8)4-5-7(2)9-3/h4-5,8H,1-2H2,3H3/b5-4-
InChIKeyFCIZAAKZWXWCJG-PLNGDYQASA-N
MW142.22 g/mol
LogP2.49
Rot. Bonds3

About (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol

(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol (PubChem CID 143019199) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol
PubChem CID143019199
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)SC
InChIInChI=1S/C7H10OS/c1-6(8)4-5-7(2)9-3/h4-5,8H,1-2H2,3H3/b5-4-
InChIKeyFCIZAAKZWXWCJG-PLNGDYQASA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanylhexa-1,3,5-triene
CID 123672655
(1Z)-N-methyl-3-methylsulfanylbuta-1,3-dien-1-amine
CID 148853023
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
CID 166754770
(3Z)-5-methylidenehepta-1,3-diene-2,6-diol
CID 143180515
(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one
CID 145356747
(3Z,5Z)-5-(3-methylsulfanylpropyl)octa-1,3,5,7-tetraen-2-ol
CID 154930188
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine
CID 159951875
(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
CID 143258823
(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
CID 143328048
(2E)-penta-2,4-diene-1,4-diol
CID 87933185

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol (CID 143019199) is (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C)SC.
What is the InChIKey of (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol?
The InChIKey is FCIZAAKZWXWCJG-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10OS/c1-6(8)4-5-7(2)9-3/h4-5,8H,1-2H2,3H3/b5-4-.
What are the key properties of (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol?
(3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol has a molecular weight of 142.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylsulfanylhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 143019199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).