CAS
91093-42-4 Purity
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91093-42-4 Purity
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5-Anilino-3-methylisothiazole-4-carbonitrile
CAS
91093-88-8
Catalog Number
ACM91093888
Category
Other Products
Molecular Weight
215.274260 [g/mol]
Molecular Formula
C11H9N3S
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Specification
Synonyms
MLS000772187, MolPort-002-469-493, ZINC01409818, HMS1742L21, CID1493677, SMR000376767, PB96169353, 91093-88-8
IUPAC Name
5-anilino-3-methyl-1,2-thiazole-4-carbonitrile
InChI Key
JOPGWNWRNVAFPC-UHFFFAOYSA-N
Boiling Point
288.9ºC at 760mmHg
Flash Point
128.5ºC
Density
1.28g/cm³
Exact Mass
215.05200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 5-Anilino-3-methylisothiazole-4-carbonitrile?
The molecular formula is C11H9N3S.
When was 5-Anilino-3-methylisothiazole-4-carbonitrile first created on PubChem?
It was first created on July 11, 2005.
What is the molecular weight of 5-Anilino-3-methylisothiazole-4-carbonitrile?
The molecular weight is 215.28 g/mol.
What is the IUPAC name of 5-Anilino-3-methylisothiazole-4-carbonitrile?
The IUPAC name is 5-anilino-3-methyl-1,2-thiazole-4-carbonitrile.
How many hydrogen bond donor counts does 5-Anilino-3-methylisothiazole-4-carbonitrile have?
It has 1 hydrogen bond donor count.
What is the exact mass of 5-Anilino-3-methylisothiazole-4-carbonitrile?
The exact mass is 215.05171847 g/mol.
How many heavy atoms are present in the compound?
There are 15 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of 5-Anilino-3-methylisothiazole-4-carbonitrile?
The InChIKey is JOPGWNWRNVAFPC-UHFFFAOYSA-N.
What is the topological polar surface area of the compound?
The topological polar surface area is 77 Ų.
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