CAS
90550-85-9 Purity
96%
90550-85-9 Purity
96%
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N-[(5-Bromothien-2-yl)methyl]-N-methylamine
CAS
90553-43-8
Catalog Number
ACM90553438
Category
Other Products
Molecular Weight
207.111360 [g/mol]
Molecular Formula
C6H8BrNS
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Specification
Synonyms
ZINC03333284, CID2449438, 90553-43-8
IUPAC Name
(5-bromothiophen-2-yl)methyl-methylazanium
Canonical SMILES
CNCC1=CC=C(S1)Br
InChI Key
CWURHLHTEJAXEA-UHFFFAOYSA-O
Boiling Point
230.9ºC at 760mmHg
Flash Point
93.5ºC
Exact Mass
204.95600
H-Bond Acceptor
0
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 2449439?
The molecular formula is C6H8BrNS.
When was the compound with PubChem CID 2449439 created?
It was created on July 15, 2005.
What is the IUPAC name of the compound with PubChem CID 2449439?
The IUPAC name is 1-(5-bromothiophen-2-yl)-N-methylmethanamine.
What is the Canonical SMILES of the compound with PubChem CID 2449439?
The Canonical SMILES is CNCC1=CC=C(S1)Br.
What is the InChIKey of the compound with PubChem CID 2449439?
The InChIKey is CWURHLHTEJAXEA-UHFFFAOYSA-N.
What is the molecular weight of the compound with PubChem CID 2449439?
The molecular weight is 206.11 g/mol.
How many hydrogen bond donor counts are there in the compound with PubChem CID 2449439?
There is 1 hydrogen bond donor.
What is the topological polar surface area of the compound with PubChem CID 2449439?
The topological polar surface area is 40.3 2.
How many defined atom stereocenter counts are in the compound with PubChem CID 2449439?
There are 0 defined atom stereocenter counts.
Is the compound with PubChem CID 2449439 canonicalized?
Yes, the compound is canonicalized.
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