(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol

C10H10S — CID 11982546

IUPAC(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
SMILESS/C=C\C=C/c1ccccc1
InChIInChI=1S/C10H10S/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9,11H/b8-4-,9-5-
InChIKeyRGEXOMRUTSENLP-XEQVNJCQSA-N
MW162.26 g/mol
LogP3.14
Rot. Bonds2

About (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol

(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol (PubChem CID 11982546) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
PubChem CID11982546
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
SMILESS/C=C\C=C/c1ccccc1
InChIInChI=1S/C10H10S/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9,11H/b8-4-,9-5-
InChIKeyRGEXOMRUTSENLP-XEQVNJCQSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2-phenylethenethiol
CID 15971862
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
CID 11708291
4-(4-phenylbuta-1,3-dienyl)benzaldehyde
CID 71360938
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
2-chlorophenol;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88755430
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
CID 23124540
CID 23124540
CID 11087023
CID 11087023

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol?
The IUPAC name of (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol (CID 11982546) is (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol.
What is the SMILES notation for (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol?
The canonical SMILES for (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol is S/C=C\C=C/c1ccccc1.
What is the InChIKey of (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol?
The InChIKey is RGEXOMRUTSENLP-XEQVNJCQSA-N. The full InChI is InChI=1S/C10H10S/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9,11H/b8-4-,9-5-.
What are the key properties of (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol?
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol has a molecular weight of 162.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol is sourced from PubChem (CID 11982546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).