CAS
959617-74-4 Purity
96%
959617-74-4 Purity
96%
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1H-Imidazole-4-carbothioamide
CAS
95962-95-1
Catalog Number
ACM95962951
Category
Other Products
Molecular Weight
127.17
Molecular Formula
C4H5N3S
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Specification
Synonyms
1H-IMIDAZOLE-4-CARBOTHIOAMIDE;1H-Imidazole-4-carbothioamide 97%;1H-Imidazole-4-carbothioamide(9CI);1H-Imidazole-4-carbothioamide97%;1H-Imidazole-4-carbothioic acid amide;1H-Imidazole-4-thiocarboxamide
IUPAC Name
1H-imidazole-5-carbothioamide
Canonical SMILES
C1=C(NC=N1)C(=S)N
InChI Key
CUOPCGNBQZKKNU-UHFFFAOYSA-N
Boiling Point
420.7ºC at 760mmHg
Melting Point
204-207ºC
Flash Point
208.3ºC
Density
1.452g/cm³
Exact Mass
127.02000
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
2
Safety Description
S36/37
What is the molecular formula of 1H-Imidazole-4-carbothioamide?
The molecular formula is C4H5N3S.
What is the molecular weight of 1H-Imidazole-4-carbothioamide?
The molecular weight is 127.17 g/mol.
When was 1H-Imidazole-4-carbothioamide created?
It was created on July 19, 2005.
What is the InChIKey of 1H-Imidazole-4-carbothioamide?
The InChIKey is CUOPCGNBQZKKNU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1H-Imidazole-4-carbothioamide have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 1H-Imidazole-4-carbothioamide?
The topological polar surface area is 86.8 Ų.
How many heavy atoms does 1H-Imidazole-4-carbothioamide contain?
It contains 8 heavy atoms.
Is 1H-Imidazole-4-carbothioamide a canonicalized compound?
Yes, it is a canonicalized compound.
What is the XLogP3-AA value of 1H-Imidazole-4-carbothioamide?
The XLogP3-AA value is -0.1.
What is the formal charge of 1H-Imidazole-4-carbothioamide?
The formal charge is 0.
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