(1-phenyl-2-thiophosphorosoethenyl)benzene

C14H11PS — CID 88836521

IUPAC(1-phenyl-2-thiophosphorosoethenyl)benzene
SMILESS=PC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11PS/c16-15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyMTTCXKSROCJRJI-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.48
Rot. Bonds3

About (1-phenyl-2-thiophosphorosoethenyl)benzene

(1-phenyl-2-thiophosphorosoethenyl)benzene (PubChem CID 88836521) has the molecular formula C14H11PS and a molecular weight of 242.28 g/mol. Its IUPAC name is (1-phenyl-2-thiophosphorosoethenyl)benzene.

Molecular Properties

Compound Name(1-phenyl-2-thiophosphorosoethenyl)benzene
PubChem CID88836521
Molecular FormulaC14H11PS
Molecular Weight242.28 g/mol
Exact Mass242.03
IUPAC Name(1-phenyl-2-thiophosphorosoethenyl)benzene
SMILESS=PC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11PS/c16-15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyMTTCXKSROCJRJI-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
[2-(2,2-diphenylethenyldiselanyl)-1-phenylethenyl]benzene
CID 134932536
CID 173126547
CID 173126547
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
3,3-diphenylprop-2-ene-1-thiol
CID 87371964
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
2,2-diphenylethenyltellanylsodium
CID 134895444
(Z)-2,3-diphenylbut-2-enedithial
CID 101175637
2-(2,2-diphenylethenoxy)-2-oxoacetic acid
CID 150651054
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-2-thiophosphorosoethenyl)benzene?
The IUPAC name of (1-phenyl-2-thiophosphorosoethenyl)benzene (CID 88836521) is (1-phenyl-2-thiophosphorosoethenyl)benzene.
What is the SMILES notation for (1-phenyl-2-thiophosphorosoethenyl)benzene?
The canonical SMILES for (1-phenyl-2-thiophosphorosoethenyl)benzene is S=PC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-phenyl-2-thiophosphorosoethenyl)benzene?
The InChIKey is MTTCXKSROCJRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11PS/c16-15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H.
What are the key properties of (1-phenyl-2-thiophosphorosoethenyl)benzene?
(1-phenyl-2-thiophosphorosoethenyl)benzene has a molecular weight of 242.28 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-2-thiophosphorosoethenyl)benzene is sourced from PubChem (CID 88836521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).