benzenesulfonylbenzene;sulfane

C24H22O4S3 — CID 21271998

IUPACbenzenesulfonylbenzene;sulfane
SMILESO=S(=O)(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.S
InChIInChI=1S/2C12H10O2S.H2S/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*1-10H;1H2
InChIKeyKMDAMPQVHWRQIB-UHFFFAOYSA-N
MW470.64 g/mol
LogP5.15
Rot. Bonds4

About benzenesulfonylbenzene;sulfane

benzenesulfonylbenzene;sulfane (PubChem CID 21271998) has the molecular formula C24H22O4S3 and a molecular weight of 470.64 g/mol. Its IUPAC name is benzenesulfonylbenzene;sulfane.

Molecular Properties

Compound Namebenzenesulfonylbenzene;sulfane
PubChem CID21271998
Molecular FormulaC24H22O4S3
Molecular Weight470.64 g/mol
Exact Mass470.07
IUPAC Namebenzenesulfonylbenzene;sulfane
SMILESO=S(=O)(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.S
InChIInChI=1S/2C12H10O2S.H2S/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*1-10H;1H2
InChIKeyKMDAMPQVHWRQIB-UHFFFAOYSA-N
XLogP5.15
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene;sulfane?
The IUPAC name of benzenesulfonylbenzene;sulfane (CID 21271998) is benzenesulfonylbenzene;sulfane.
What is the SMILES notation for benzenesulfonylbenzene;sulfane?
The canonical SMILES for benzenesulfonylbenzene;sulfane is O=S(=O)(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.S.
What is the InChIKey of benzenesulfonylbenzene;sulfane?
The InChIKey is KMDAMPQVHWRQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10O2S.H2S/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*1-10H;1H2.
What are the key properties of benzenesulfonylbenzene;sulfane?
benzenesulfonylbenzene;sulfane has a molecular weight of 470.64 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylbenzene;sulfane is sourced from PubChem (CID 21271998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).