Structure

Xanthiol

CAS
14008-71-0
Catalog Number
ACM14008710
Category
Other Products
Molecular Weight
417.014
Molecular Formula
C23H29ClN2OS

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Specification

Synonyms
Xanthiol;4-[3-(2-Chloro-9H-thioxanthen-9-yl)propyl]-1-piperazine-1-propanol;Xanthiol [inn]
IUPAC Name
3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol
Canonical SMILES
C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO
InChI Key
VQLAZPRVCPICCQ-UHFFFAOYSA-N
Exact Mass
416.16900
H-Bond Acceptor
4
H-Bond Donor
1
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