CAS
904813-42-9 Purity
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904813-42-9 Purity
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2-Thiophen-2-yl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine
CAS
904813-50-9
Catalog Number
ACM904813509
Category
Other Products
Molecular Weight
230.33
Molecular Formula
C13H14N2S
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Specification
Synonyms
2-THIOPHEN-2-YL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPINE
What is the molecular formula of the compound?
The molecular formula of the compound is C13H14N2S.
When was the compound created and last modified?
The compound was created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.
What is the molecular weight of the compound?
The molecular weight of the compound is 230.33 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is LEFCCRGYHRDPRB-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.3.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 52.3 Ų.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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