S-[(E)-2-phenylethenyl] benzenecarbothioate

C15H12OS — CID 14024326

IUPACS-[(E)-2-phenylethenyl] benzenecarbothioate
SMILESO=C(S/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKeyOVOPGWDGJDFESC-VAWYXSNFSA-N
MW240.33 g/mol
LogP4.23
Rot. Bonds3

About S-[(E)-2-phenylethenyl] benzenecarbothioate

S-[(E)-2-phenylethenyl] benzenecarbothioate (PubChem CID 14024326) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is S-[(E)-2-phenylethenyl] benzenecarbothioate.

Molecular Properties

Compound NameS-[(E)-2-phenylethenyl] benzenecarbothioate
PubChem CID14024326
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC NameS-[(E)-2-phenylethenyl] benzenecarbothioate
SMILESO=C(S/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12OS/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKeyOVOPGWDGJDFESC-VAWYXSNFSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-[(E)-2-phenylethenyl] benzenecarbothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoylsulfanylmethylidene(dimethyl)azanium
CID 13444024
[(Z)-2-[(E)-2-phenylethenyl]sulfanylethenyl]benzene
CID 11276469
1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
acetic acid;stilbene
CID 172803728
S-[(Z)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-enyl] benzenecarbothioate
CID 139701970
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
S-amino benzenecarbothioate
CID 569822
2-phenylethenyl thiohypofluorite
CID 175755686
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391

Frequently Asked Questions

What is the IUPAC name of S-[(E)-2-phenylethenyl] benzenecarbothioate?
The IUPAC name of S-[(E)-2-phenylethenyl] benzenecarbothioate (CID 14024326) is S-[(E)-2-phenylethenyl] benzenecarbothioate.
What is the SMILES notation for S-[(E)-2-phenylethenyl] benzenecarbothioate?
The canonical SMILES for S-[(E)-2-phenylethenyl] benzenecarbothioate is O=C(S/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of S-[(E)-2-phenylethenyl] benzenecarbothioate?
The InChIKey is OVOPGWDGJDFESC-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H12OS/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-12H/b12-11+.
What are the key properties of S-[(E)-2-phenylethenyl] benzenecarbothioate?
S-[(E)-2-phenylethenyl] benzenecarbothioate has a molecular weight of 240.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-2-phenylethenyl] benzenecarbothioate is sourced from PubChem (CID 14024326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).