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CAS Number: 439094-15-2
5-isothiocyanato-10,11-dihydro-5H-dibenzo[a,d][7]annulene

Structure

 5-isothiocyanato-10,11-dihydro-5H-dibenzo[a,d][7]annulene
Name: 5-isothiocyanato-10,11-dihydro-5H-dibenzo[a,d][7]annulene
Synonyms:
General Information
Product Number: 439094152

CAS Registry Number 439094-15-2
Name:
5H-?Dibenzo[a,?d]?cycloheptene, 10,?11-?dihydro-?5-?isothiocyanato-
10,11-Dihydro-5-isothiocyanato-5H-dibenzo[a,d]cycloheptene

 

Chemical Formula: C16H13NS
Exact Mass: 251.08
Molecular Weight: 251.35
m/z: 251.08 (100.0%), 252.08 (18.3%), 253.07 (4.5%), 253.08 (1.6%)

 

InChI:InChI=1S/C16H13NS/c18-11-17-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-10H2

InChI Key:RINHZXPQIYFKFO-UHFFFAOYSA-N

Canonical SMILES:C1CC2=CC=CC=C2C(C3=CC=CC=C31)N=C=S

Specification

98%
References

PCT Int. Appl. (2003), WO 2003051276 A2 20030626.                                  

Journal of Medicinal Chemistry (2002), 45(11), 2160-2172. 
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