6-ethylsulfanyl-8-methylsulfanyl-7H-purine

C8H10N4S2 — CID 3760625

IUPAC6-ethylsulfanyl-8-methylsulfanyl-7H-purine
SMILESCCSc1ncnc2nc(SC)[nH]c12
InChIInChI=1S/C8H10N4S2/c1-3-14-7-5-6(9-4-10-7)12-8(11-5)13-2/h4H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyVREREHHXSAHDAH-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.19
Rot. Bonds3

About 6-ethylsulfanyl-8-methylsulfanyl-7H-purine

6-ethylsulfanyl-8-methylsulfanyl-7H-purine (PubChem CID 3760625) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 6-ethylsulfanyl-8-methylsulfanyl-7H-purine.

Molecular Properties

Compound Name6-ethylsulfanyl-8-methylsulfanyl-7H-purine
PubChem CID3760625
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name6-ethylsulfanyl-8-methylsulfanyl-7H-purine
SMILESCCSc1ncnc2nc(SC)[nH]c12
InChIInChI=1S/C8H10N4S2/c1-3-14-7-5-6(9-4-10-7)12-8(11-5)13-2/h4H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyVREREHHXSAHDAH-UHFFFAOYSA-N
XLogP2.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methylsulfanyl-7H-purin-6-amine
CID 935524
6-tert-butyl-8-methylsulfanyl-7H-purine
CID 165348939
7-chloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84669145
7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84704317
6,8-bis(methylsulfanyl)-7H-purin-2-amine;hydrochloride
CID 54602340
2-methylsulfanyl-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135441451
6-[(4-methylsulfanylphenyl)methylsulfanyl]-7H-purine
CID 146314022
8-methylsulfanyl-7H-purine;7H-purin-8-amine
CID 159657386
(2R)-2-[(6-amino-7H-purin-8-yl)sulfanyl]butanoic acid
CID 784867
5-ethyl-6-ethylsulfanylpyrimidin-4-amine
CID 80887544
6-dodecylsulfanyl-7H-purine
CID 3778984
1-(7H-purin-6-ylsulfanyl)pentan-2-one
CID 62255400

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-8-methylsulfanyl-7H-purine?
The IUPAC name of 6-ethylsulfanyl-8-methylsulfanyl-7H-purine (CID 3760625) is 6-ethylsulfanyl-8-methylsulfanyl-7H-purine.
What is the SMILES notation for 6-ethylsulfanyl-8-methylsulfanyl-7H-purine?
The canonical SMILES for 6-ethylsulfanyl-8-methylsulfanyl-7H-purine is CCSc1ncnc2nc(SC)[nH]c12.
What is the InChIKey of 6-ethylsulfanyl-8-methylsulfanyl-7H-purine?
The InChIKey is VREREHHXSAHDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-3-14-7-5-6(9-4-10-7)12-8(11-5)13-2/h4H,3H2,1-2H3,(H,9,10,11,12).
What are the key properties of 6-ethylsulfanyl-8-methylsulfanyl-7H-purine?
6-ethylsulfanyl-8-methylsulfanyl-7H-purine has a molecular weight of 226.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-8-methylsulfanyl-7H-purine is sourced from PubChem (CID 3760625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).