1-(4-phenylphenyl)ethenethiol

C14H12S — CID 142504756

IUPAC1-(4-phenylphenyl)ethenethiol
SMILESC=C(S)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12S/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,1H2
InChIKeyTXDISFRACYKTMA-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.25
Rot. Bonds2

About 1-(4-phenylphenyl)ethenethiol

1-(4-phenylphenyl)ethenethiol (PubChem CID 142504756) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(4-phenylphenyl)ethenethiol.

Molecular Properties

Compound Name1-(4-phenylphenyl)ethenethiol
PubChem CID142504756
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name1-(4-phenylphenyl)ethenethiol
SMILESC=C(S)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12S/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,1H2
InChIKeyTXDISFRACYKTMA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylphenyl)ethenol
CID 89336300
1-(1-bromoethenyl)-4-phenylbenzene
CID 14972758
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209
benzene;tris(1,1'-biphenyl)
CID 162155747
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
phenyl-(4-phenylphenyl)methanone
CID 155775877
N-methoxy-1-(4-phenylphenyl)ethenamine
CID 57139262
1,1'-biphenyl;2-hydroxyprop-2-enoic acid
CID 175089915
sodium;hydride;4-phenylbenzoic acid
CID 173392993
1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
CID 73056693
potassium;hydride;4-phenylbenzoic acid
CID 173045180

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)ethenethiol?
The IUPAC name of 1-(4-phenylphenyl)ethenethiol (CID 142504756) is 1-(4-phenylphenyl)ethenethiol.
What is the SMILES notation for 1-(4-phenylphenyl)ethenethiol?
The canonical SMILES for 1-(4-phenylphenyl)ethenethiol is C=C(S)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)ethenethiol?
The InChIKey is TXDISFRACYKTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,1H2.
What are the key properties of 1-(4-phenylphenyl)ethenethiol?
1-(4-phenylphenyl)ethenethiol has a molecular weight of 212.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)ethenethiol is sourced from PubChem (CID 142504756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).