BRN 0032915

2,12-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

CAS: 4699-26-7

Molecular Formula	`C20H14S2`
Molecular Weight	318.5 g/mol
LogP	7.4
Topological Polar Surface Area	56.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	318.05368
Heavy Atoms	22
Complexity	397.0

Chemical Identifiers

CAS Number	4699-26-7
SMILES	`CC1=C2C3=CC=CC=C3SC2=C(C4=C1C5=CC=CC=C5S4)C`
InChIKey	`CYIDONDRRPRIHZ-UHFFFAOYSA-N`

📖 Product Overview

BRN 0032915 (CAS: 4699-26-7) is a chemical compound with molecular formula C20H14S2 and molecular weight 318.5 g/mol. Its IUPAC systematic name is 2,12-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene. LogP 7.4 Topological Polar Surface Area 56.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 318.05368 Heavy Atoms 22 Complexity 397.0 InChI Key: CYIDONDRRPRIHZ-UHFFFAOYSA-N. SMILES: CC1=C2C3=CC=CC=C3SC2=C(C4=C1C5=CC=CC=C5S4)C.

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