CAS
93778-08-6 Purity
96%
93778-08-6 Purity
96%
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2-Propylthioisonicotinamide monohydrochloride
CAS
93778-13-3
Catalog Number
ACM93778133
Category
Other Products
Molecular Weight
216.730920 [g/mol]
Molecular Formula
C9H12N2S.HCl
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Specification
Synonyms
2-Propylthioisonicotinamide HCl, EINECS 298-147-0, CID3022324, 2-Propylthioisonicotinamide monohydrochloride, 93778-13-3
IUPAC Name
2-propylpyridine-4-carbothioamide hydrochloride
Canonical SMILES
CCCC1=NC=CC(=C1)C(=S)N.Cl
InChI Key
KRWYKWASDKBOGK-UHFFFAOYSA-N
Boiling Point
310.4ºC at 760mmHg
Flash Point
141.5ºC
EC Number
298-147-0
Exact Mass
216.04900
H-Bond Acceptor
1
H-Bond Donor
2
What is the molecular formula of 2-Propylthioisonicotinamide monohydrochloride?
The molecular formula of 2-Propylthioisonicotinamide monohydrochloride is C9H13ClN2S.
What is the molecular weight of 2-Propylthioisonicotinamide monohydrochloride?
The molecular weight of 2-Propylthioisonicotinamide monohydrochloride is 216.73 g/mol.
What is the IUPAC name of 2-Propylthioisonicotinamide monohydrochloride?
The IUPAC name of 2-Propylthioisonicotinamide monohydrochloride is 2-propylpyridine-4-carbothioamide;hydrochloride.
What is the InChIKey of 2-Propylthioisonicotinamide monohydrochloride?
The InChIKey of 2-Propylthioisonicotinamide monohydrochloride is KRWYKWASDKBOGK-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Propylthioisonicotinamide monohydrochloride?
The Canonical SMILES of 2-Propylthioisonicotinamide monohydrochloride is CCCC1=NC=CC(=C1)C(=S)N.Cl.
What is the CAS number of 2-Propylthioisonicotinamide monohydrochloride?
The CAS number of 2-Propylthioisonicotinamide monohydrochloride is 93778-13-3.
How many hydrogen bond donor counts are in 2-Propylthioisonicotinamide monohydrochloride?
There are 2 hydrogen bond donor counts in 2-Propylthioisonicotinamide monohydrochloride.
What is the topological polar surface area of 2-Propylthioisonicotinamide monohydrochloride?
The topological polar surface area of 2-Propylthioisonicotinamide monohydrochloride is 71.2 Ų.
How many heavy atoms are in 2-Propylthioisonicotinamide monohydrochloride?
There are 13 heavy atoms in 2-Propylthioisonicotinamide monohydrochloride.
Is 2-Propylthioisonicotinamide monohydrochloride a canonicalized compound?
Yes, 2-Propylthioisonicotinamide monohydrochloride is a canonicalized compound.
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