6-(3-chlorophenyl)sulfanyl-7H-purine

C11H7ClN4S — CID 514793

IUPAC6-(3-chlorophenyl)sulfanyl-7H-purine
SMILESClc1cccc(Sc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H7ClN4S/c12-7-2-1-3-8(4-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,13,14,15,16)
InChIKeyKGMJUXVDHICJPB-UHFFFAOYSA-N
MW262.73 g/mol
LogP3.16
Rot. Bonds2

About 6-(3-chlorophenyl)sulfanyl-7H-purine

6-(3-chlorophenyl)sulfanyl-7H-purine (PubChem CID 514793) has the molecular formula C11H7ClN4S and a molecular weight of 262.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-7H-purine.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-7H-purine
PubChem CID514793
Molecular FormulaC11H7ClN4S
Molecular Weight262.73 g/mol
Exact Mass262.01
IUPAC Name6-(3-chlorophenyl)sulfanyl-7H-purine
SMILESClc1cccc(Sc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H7ClN4S/c12-7-2-1-3-8(4-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,13,14,15,16)
InChIKeyKGMJUXVDHICJPB-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(6-chloro-2-pyridinyl)sulfanyl]-7H-purine
CID 63588245
2-amino-5-(7H-purin-6-ylsulfanyl)benzamide
CID 62255044
(1R)-1-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanol
CID 78951419
4-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 79582600
6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
CID 140979996
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
CID 102988888
3-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 63746301
2-bromo-6-(7H-purin-6-ylsulfanyl)benzoic acid
CID 114888782
4-methyl-3-(7H-purin-6-ylsulfanyl)aniline
CID 62588886
3-bromo-4-(7H-purin-6-ylsulfanyl)aniline
CID 62253599
6-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-7H-purine
CID 114072791

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-7H-purine?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-7H-purine (CID 514793) is 6-(3-chlorophenyl)sulfanyl-7H-purine.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-7H-purine?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-7H-purine is Clc1cccc(Sc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-7H-purine?
The InChIKey is KGMJUXVDHICJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S/c12-7-2-1-3-8(4-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,13,14,15,16).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-7H-purine?
6-(3-chlorophenyl)sulfanyl-7H-purine has a molecular weight of 262.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfanyl-7H-purine is sourced from PubChem (CID 514793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).