1,3,5-trichloro-2-thiophosphorososulfanylbenzene

C6H2Cl3PS2 — CID 170191483

IUPAC1,3,5-trichloro-2-thiophosphorososulfanylbenzene
SMILESS=PSc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H2Cl3PS2/c7-3-1-4(8)6(12-10-11)5(9)2-3/h1-2H
InChIKeyKYIORMHFYIQYCN-UHFFFAOYSA-N
MW275.55 g/mol
LogP5.06
Rot. Bonds2

About 1,3,5-trichloro-2-thiophosphorososulfanylbenzene

1,3,5-trichloro-2-thiophosphorososulfanylbenzene (PubChem CID 170191483) has the molecular formula C6H2Cl3PS2 and a molecular weight of 275.55 g/mol. Its IUPAC name is 1,3,5-trichloro-2-thiophosphorososulfanylbenzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-thiophosphorososulfanylbenzene
PubChem CID170191483
Molecular FormulaC6H2Cl3PS2
Molecular Weight275.55 g/mol
Exact Mass273.84
IUPAC Name1,3,5-trichloro-2-thiophosphorososulfanylbenzene
SMILESS=PSc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H2Cl3PS2/c7-3-1-4(8)6(12-10-11)5(9)2-3/h1-2H
InChIKeyKYIORMHFYIQYCN-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-thiophosphorososulfanylbenzene?
The IUPAC name of 1,3,5-trichloro-2-thiophosphorososulfanylbenzene (CID 170191483) is 1,3,5-trichloro-2-thiophosphorososulfanylbenzene.
What is the SMILES notation for 1,3,5-trichloro-2-thiophosphorososulfanylbenzene?
The canonical SMILES for 1,3,5-trichloro-2-thiophosphorososulfanylbenzene is S=PSc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-thiophosphorososulfanylbenzene?
The InChIKey is KYIORMHFYIQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3PS2/c7-3-1-4(8)6(12-10-11)5(9)2-3/h1-2H.
What are the key properties of 1,3,5-trichloro-2-thiophosphorososulfanylbenzene?
1,3,5-trichloro-2-thiophosphorososulfanylbenzene has a molecular weight of 275.55 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-thiophosphorososulfanylbenzene is sourced from PubChem (CID 170191483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).