CAS
906560-16-5 Purity
96%
906560-16-5 Purity
96%
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4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
CAS
90662-12-7
Catalog Number
ACM90662127
Category
Other Products
Molecular Weight
234.11
Molecular Formula
C7H5Cl2N3S
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Specification
Synonyms
4,6-dichloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
Density
1.64g/cm³
What is the molecular formula of 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine?
The molecular formula is C7H5Cl2N3S.
When was 4,6-Dichloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine created and modified?
It was created on 2005-03-26 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 4,6-dichloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the InChI of the compound?
The InChI is InChI=1S/C7H5Cl2N3S/c1-13-7-11-5(9)3-2-4(8)10-6(3)12-7/h2H,1H3,(H,10,11,12).
What is the InChIKey of the compound?
The InChIKey is AYLKWJLSXAICBZ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CSC1=NC2=C(C=C(N2)Cl)C(=N1)Cl.
What is the molecular weight of the compound?
The molecular weight is 234.11 g/mol.
How many hydrogen bond donor counts does the compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 66.9 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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