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

C10H10S — CID 11193677

IUPAC(1Z)-1-phenylbuta-1,3-diene-1-thiol
SMILESC=C/C=C(\S)c1ccccc1
InChIInChI=1S/C10H10S/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8,11H,1H2/b10-6-
InChIKeyYEAAMYFSJCHPQV-POHAHGRESA-N
MW162.26 g/mol
LogP3.14
Rot. Bonds2

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

(1Z)-1-phenylbuta-1,3-diene-1-thiol (PubChem CID 11193677) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is (1Z)-1-phenylbuta-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1Z)-1-phenylbuta-1,3-diene-1-thiol
PubChem CID11193677
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name(1Z)-1-phenylbuta-1,3-diene-1-thiol
SMILESC=C/C=C(\S)c1ccccc1
InChIInChI=1S/C10H10S/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8,11H,1H2/b10-6-
InChIKeyYEAAMYFSJCHPQV-POHAHGRESA-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

1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
(Z)-2-amino-1-phenylethenethiol
CID 89189734
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
3,6-bis[(1Z)-1-phenylbuta-1,3-dienyl]benzene-1,2-diamine
CID 89196308
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one
CID 173287666
[(1E)-1-ethoxybuta-1,3-dienyl]benzene
CID 10487466
(2Z)-2-benzoylpenta-2,4-dienethial
CID 146179532

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-phenylbuta-1,3-diene-1-thiol?
The IUPAC name of (1Z)-1-phenylbuta-1,3-diene-1-thiol (CID 11193677) is (1Z)-1-phenylbuta-1,3-diene-1-thiol.
What is the SMILES notation for (1Z)-1-phenylbuta-1,3-diene-1-thiol?
The canonical SMILES for (1Z)-1-phenylbuta-1,3-diene-1-thiol is C=C/C=C(\S)c1ccccc1.
What is the InChIKey of (1Z)-1-phenylbuta-1,3-diene-1-thiol?
The InChIKey is YEAAMYFSJCHPQV-POHAHGRESA-N. The full InChI is InChI=1S/C10H10S/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8,11H,1H2/b10-6-.
What are the key properties of (1Z)-1-phenylbuta-1,3-diene-1-thiol?
(1Z)-1-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)-1-phenylbuta-1,3-diene-1-thiol is sourced from PubChem (CID 11193677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).