6-(methylsulfanyl)-7H-purin-2-amine

6-(methylsulfanyl)-7H-purin-2-amine

CAS: 1198-47-6

Formula: C6H7N5S

SMILES: CSC1=C2NC=NC2=NC(N)=N1

IUPAC: 6-(methylsulfanyl)-7H-purin-2-amine

InChI: InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)

Composition: C (39.77%), H (3.89%), N (38.65%), S (17.69%)

Molar Mass: 181.22

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	181.042216419
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YEGKYFQLKYGHAR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.92
Topological Polar Surface Area	80.48
Polarizability	18.26
Ring Count	2
Rotatable Bond Count	1

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