CAS
944747-11-9 Purity
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944747-11-9 Purity
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2-Amino-5-bromothiazole-4-carbonitrile
CAS
944804-79-9
Catalog Number
ACM944804799
Category
Other Products
Molecular Weight
204.047780 [g/mol]
Molecular Formula
C4H2BrN3S
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Specification
Synonyms
2-AMINO-5-BROMOTHIAZOLE-4-CARBONITRILE, 944804-79-9, AK-25198, KB-52244, 2-amino-5-bromo-1,3-thiazole-4-carbonitrile
IUPAC Name
2-amino-5-bromo-1,3-thiazole-4-carbonitrile
InChI Key
AWRSBLKVIBXYGO-UHFFFAOYSA-N
Boiling Point
415.798ºC at 760 mmHg
Flash Point
205.268ºC
Density
2.053g/cm³
Exact Mass
202.91500
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2-Amino-5-bromothiazole-4-carbonitrile?
The molecular formula is C4H2BrN3S.
When was the compound created?
The compound was created on August 19, 2012.
What is the InChI of 2-Amino-5-bromothiazole-4-carbonitrile?
The InChI is InChI=1S/C4H2BrN3S/c5-3-2(1-6)8-4(7)9-3/h(H2,7,8).
What is the Canonical SMILES of 2-Amino-5-bromothiazole-4-carbonitrile?
The Canonical SMILES is C(#N)C1=C(SC(=N1)N)Br.
What is the molecular weight of 2-Amino-5-bromothiazole-4-carbonitrile?
The molecular weight is 204.05 g/mol.
How many hydrogen bond donor counts does 2-Amino-5-bromothiazole-4-carbonitrile have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 2-Amino-5-bromothiazole-4-carbonitrile have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-Amino-5-bromothiazole-4-carbonitrile?
The topological polar surface area is 90.9?2.
How many heavy atoms are present in 2-Amino-5-bromothiazole-4-carbonitrile?
There are 9 heavy atoms.
Is 2-Amino-5-bromothiazole-4-carbonitrile a canonicalized compound?
Yes, it is a canonicalized compound.
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