CAS
914348-66-6 Purity
96%
914348-66-6 Purity
96%
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4-CHLORO-2-(1-METHYLIMIDAZOLYL-2-THIO)-5-THIAZOLECARBOXALDEHYDE
CAS
914348-72-4
Catalog Number
ACM914348724
Category
Other Products
Molecular Weight
259.74
Molecular Formula
C8H6ClN3OS2
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Specification
Synonyms
4-CHLORO-2-(1-METHYLIMIDAZOLYL-2-THIO)-5-THIAZOLECARBOXALDEHYDE;4-CHLORO-2-(1-METHYL-1H-IMIDAZOL-2-YLTHIO)THIAZOLE-5-CARBALDEHYDE
IUPAC Name
4-chloro-2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole-5-carbaldehyde
Canonical SMILES
CN1C=CN=C1SC2=NC(=C(S2)C=O)Cl
InChI Key
PVWNQKCCJBEDBC-UHFFFAOYSA-N
Exact Mass
258.96400
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 45036819?
The molecular formula is C8H6ClN3OS2.
What is the molecular weight of the compound?
The molecular weight is 259.7 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-chloro-2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole-5-carbaldehyde.
What is the InChI of the compound?
The InChI is InChI=1S/C8H6ClN3OS2/c1-12-3-2-10-7(12)15-8-11-6(9)5(4-13)14-8/h2-4H,1H3.
What is the InChIKey of the compound?
The InChIKey is PVWNQKCCJBEDBC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CN1C=CN=C1SC2=NC(=C(S2)C=O)Cl.
What is the CAS number of the compound?
The CAS number is 914348-72-4.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 101 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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