4-(ethylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

4-(ethylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

CAS: 185040-35-1

Formula: C8H11N3OS

SMILES: CCNC1=C(C=O)C=NC(SC)=N1

IUPAC: 4-(ethylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

InChI: InChI=1S/C8H11N3OS/c1-3-9-7-6(5-12)4-10-8(11-7)13-2/h4-5H,3H2,1-2H3,(H,9,10,11)

Composition: C (48.71%), H (5.62%), N (21.30%), O (8.11%), S (16.25%)

Molar Mass: 197.26

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.06228316
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GHSAKUXIRGLXHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.27
Topological Polar Surface Area	54.88
Polarizability	20.19
Ring Count	1
Rotatable Bond Count	4

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