(Z)-1,3,3-triphenylprop-1-ene-2-thiol

C21H18S — CID 101086551

IUPAC(Z)-1,3,3-triphenylprop-1-ene-2-thiol
SMILESS/C(=C\c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18S/c22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,21-22H/b20-16-
InChIKeyFYHJEQUTISLXHD-SILNSSARSA-N
MW302.44 g/mol
LogP5.79
Rot. Bonds4

About (Z)-1,3,3-triphenylprop-1-ene-2-thiol

(Z)-1,3,3-triphenylprop-1-ene-2-thiol (PubChem CID 101086551) has the molecular formula C21H18S and a molecular weight of 302.44 g/mol. Its IUPAC name is (Z)-1,3,3-triphenylprop-1-ene-2-thiol.

Molecular Properties

Compound Name(Z)-1,3,3-triphenylprop-1-ene-2-thiol
PubChem CID101086551
Molecular FormulaC21H18S
Molecular Weight302.44 g/mol
Exact Mass302.11
IUPAC Name(Z)-1,3,3-triphenylprop-1-ene-2-thiol
SMILESS/C(=C\c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18S/c22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,21-22H/b20-16-
InChIKeyFYHJEQUTISLXHD-SILNSSARSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.79
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

(Z)-1-methoxy-2-phenylethenethiol
CID 12543362
(3-benzylidene-4-phenylpentan-2-yl)benzene
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(Z)-3-phenyl-2-sulfanylprop-2-enoic acid
CID 5396334
(4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene
CID 173417992
1,2,3-triphenylprop-2-en-1-amine
CID 173348999
2,2-dibromo(113C)ethenylbenzene
CID 131856077
3,3-diphenylprop-1-ene-1,2-diamine
CID 174998298
[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene
CID 134952487
(3S,4S,5S,6S)-1,8-diphenylocta-1,7-diene-2,3,4,5,6,7-hexol
CID 68940500
[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfinylethenyl]benzene
CID 68923226
(2-chloro-3,3-difluoroprop-1-enyl)benzene
CID 175913510

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3,3-triphenylprop-1-ene-2-thiol?
The IUPAC name of (Z)-1,3,3-triphenylprop-1-ene-2-thiol (CID 101086551) is (Z)-1,3,3-triphenylprop-1-ene-2-thiol.
What is the SMILES notation for (Z)-1,3,3-triphenylprop-1-ene-2-thiol?
The canonical SMILES for (Z)-1,3,3-triphenylprop-1-ene-2-thiol is S/C(=C\c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,3,3-triphenylprop-1-ene-2-thiol?
The InChIKey is FYHJEQUTISLXHD-SILNSSARSA-N. The full InChI is InChI=1S/C21H18S/c22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,21-22H/b20-16-.
What are the key properties of (Z)-1,3,3-triphenylprop-1-ene-2-thiol?
(Z)-1,3,3-triphenylprop-1-ene-2-thiol has a molecular weight of 302.44 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3,3-triphenylprop-1-ene-2-thiol is sourced from PubChem (CID 101086551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).