chloro(triphenyl)-lambda4-sulfane

C18H15ClS — CID 15038682

IUPACchloro(triphenyl)-lambda4-sulfane
SMILESClS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15ClS/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyJTPACTAWYIXPSB-UHFFFAOYSA-N
MW298.84 g/mol
LogP6.12
Rot. Bonds3

About chloro(triphenyl)-lambda4-sulfane

chloro(triphenyl)-lambda4-sulfane (PubChem CID 15038682) has the molecular formula C18H15ClS and a molecular weight of 298.84 g/mol. Its IUPAC name is chloro(triphenyl)-lambda4-sulfane.

Molecular Properties

Compound Namechloro(triphenyl)-lambda4-sulfane
PubChem CID15038682
Molecular FormulaC18H15ClS
Molecular Weight298.84 g/mol
Exact Mass298.06
IUPAC Namechloro(triphenyl)-lambda4-sulfane
SMILESClS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15ClS/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyJTPACTAWYIXPSB-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.84
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloro(triphenyl)-lambda4-sulfane?
The IUPAC name of chloro(triphenyl)-lambda4-sulfane (CID 15038682) is chloro(triphenyl)-lambda4-sulfane.
What is the SMILES notation for chloro(triphenyl)-lambda4-sulfane?
The canonical SMILES for chloro(triphenyl)-lambda4-sulfane is ClS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro(triphenyl)-lambda4-sulfane?
The InChIKey is JTPACTAWYIXPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClS/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of chloro(triphenyl)-lambda4-sulfane?
chloro(triphenyl)-lambda4-sulfane has a molecular weight of 298.84 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(triphenyl)-lambda4-sulfane is sourced from PubChem (CID 15038682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).