CAS
91995-59-4 Purity
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91995-59-4 Purity
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2-Chloropyrido[2,3-d]pyrimidine-4(1H)-thione
CAS
91996-76-8
Catalog Number
ACM91996768
Category
Other Products
Molecular Weight
197.64
Molecular Formula
C7H4ClN3S
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Specification
Synonyms
2-CHLOROPYRIDO[2,3-D]PYRIMIDINE-4(1H)-THIONE
What is the molecular formula of the compound?
The molecular formula of the compound is C7H4ClN3S.
What is the molecular weight of the compound?
The molecular weight of the compound is 197.65 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-chloro-1H-pyrido[2,3-d]pyrimidine-4-thione.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H4ClN3S/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H,(H,9,10,11,12).
What is the InChIKey of the compound?
The InChIKey of the compound is UKKAUWMAMJUALO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC2=C(NC(=NC2=S)Cl)N=C1.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 0 rotatable bond counts.
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CAS
919988-44-6 Purity
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919988-44-6 Purity
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