CID 118512109

C10H7PS2 — CID 118512109

IUPAC—
SMILESS=P(=S)c1ccc2ccccc2c1
InChIInChI=1S/C10H7PS2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyCVOHMJIMTVLWRH-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.87
Rot. Bonds1

About CID 118512109

CID 118512109 (PubChem CID 118512109) has the molecular formula C10H7PS2 and a molecular weight of 222.27 g/mol.

Molecular Properties

Compound NameCID 118512109
PubChem CID118512109
Molecular FormulaC10H7PS2
Molecular Weight222.27 g/mol
Exact Mass221.97
IUPAC Name—
SMILESS=P(=S)c1ccc2ccccc2c1
InChIInChI=1S/C10H7PS2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyCVOHMJIMTVLWRH-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane
CID 144896540
anthracene;ethane;naphthalene
CID 159079166
anthracene;naphthalene;phenanthrene
CID 158591187
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CID 158474185
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Frequently Asked Questions

What is the IUPAC name of CID 118512109?
The IUPAC name of CID 118512109 (CID 118512109) is not available.
What is the SMILES notation for CID 118512109?
The canonical SMILES for CID 118512109 is S=P(=S)c1ccc2ccccc2c1.
What is the InChIKey of CID 118512109?
The InChIKey is CVOHMJIMTVLWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7PS2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of CID 118512109?
CID 118512109 has a molecular weight of 222.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118512109 is sourced from PubChem (CID 118512109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).