chloro(triphenyl)-λ4-sulfane

C36H30Cl2S2 — CID 153467777

IUPACchloro(triphenyl)-λ4-sulfane
SMILESClS(c1ccccc1)(c1ccccc1)c1ccccc1.ClS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15ClS/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*1-15H
InChIKeyVCQDYDRAUWQQFF-UHFFFAOYSA-N
MW597.68 g/mol
LogP12.24
Rot. Bonds6

About chloro(triphenyl)-λ4-sulfane

chloro(triphenyl)-λ4-sulfane (PubChem CID 153467777) has the molecular formula C36H30Cl2S2 and a molecular weight of 597.68 g/mol. Its IUPAC name is chloro(triphenyl)-λ4-sulfane.

Molecular Properties

Compound Namechloro(triphenyl)-λ4-sulfane
PubChem CID153467777
Molecular FormulaC36H30Cl2S2
Molecular Weight597.68 g/mol
Exact Mass596.12
IUPAC Namechloro(triphenyl)-λ4-sulfane
SMILESClS(c1ccccc1)(c1ccccc1)c1ccccc1.ClS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15ClS/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*1-15H
InChIKeyVCQDYDRAUWQQFF-UHFFFAOYSA-N
XLogP12.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.68
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;benzenesulfonyl chloride
CID 87647314
[amino(dichloro)-λ4-sulfanyl]benzene
CID 57478152
dichloro-methyl-phenyl-λ4-sulfane
CID 137473162
benzenesulfonyl chloride;iron
CID 174954068
3-[chloro(diphenyl)-λ4-sulfanyl]benzene-1,2-diol
CID 139595117
diphenyl-bis(sulfanyl)-λ4-sulfane
CID 21256147
[dichloro(phenyl)-λ4-sulfanyl]phosphonic acid
CID 57230559
[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
CID 134935311
dihydroxy-methyl-phenyl-λ4-sulfane
CID 58227647
(114C)methylsulfonylbenzene
CID 15557274
benzenesulfonic acid
CID 87196622
hydroxy-diphenyl-sulfanyl-λ4-sulfane
CID 175493939

Frequently Asked Questions

What is the IUPAC name of chloro(triphenyl)-λ4-sulfane?
The IUPAC name of chloro(triphenyl)-λ4-sulfane (CID 153467777) is chloro(triphenyl)-λ4-sulfane.
What is the SMILES notation for chloro(triphenyl)-λ4-sulfane?
The canonical SMILES for chloro(triphenyl)-λ4-sulfane is ClS(c1ccccc1)(c1ccccc1)c1ccccc1.ClS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro(triphenyl)-λ4-sulfane?
The InChIKey is VCQDYDRAUWQQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15ClS/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*1-15H.
What are the key properties of chloro(triphenyl)-λ4-sulfane?
chloro(triphenyl)-λ4-sulfane has a molecular weight of 597.68 g/mol, XLogP of 12.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(triphenyl)-λ4-sulfane is sourced from PubChem (CID 153467777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).