Compound C22H16S

2,12-dimethyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

CAS: 63042-50-2

Molecular Formula	`C22H16S`
Molecular Weight	312.4 g/mol
LogP	7.5
Topological Polar Surface Area	28.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	0
Exact Mass	312.09726
Heavy Atoms	23
Complexity	445.0

Chemical Identifiers

CAS Number	63042-50-2
SMILES	`CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1SC5=CC=CC=C54)C`
InChIKey	`QQYDDCSYISGRES-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H16S (CAS: 63042-50-2) is a chemical compound with molecular formula C22H16S and molecular weight 312.4 g/mol. Its IUPAC systematic name is 2,12-dimethyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene. LogP 7.5 Topological Polar Surface Area 28.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 1 Rotatable Bonds 0 Exact Mass 312.09726 Heavy Atoms 23 Complexity 445.0 InChI Key: QQYDDCSYISGRES-UHFFFAOYSA-N. SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1SC5=CC=CC=C54)C.

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