2-(propylsulfanyl)pyrimidine-5-carbaldehyde

2-(propylsulfanyl)pyrimidine-5-carbaldehyde

CAS: 876890-33-4

Formula: C8H10N2OS

SMILES: CCCSC1=NC=C(C=O)C=N1

IUPAC: 2-(propylsulfanyl)pyrimidine-5-carbaldehyde

InChI: InChI=1S/C8H10N2OS/c1-2-3-12-8-9-4-7(6-11)5-10-8/h4-6H,2-3H2,1H3

Composition: C (52.73%), H (5.53%), N (15.37%), O (8.78%), S (17.59%)

Molar Mass: 182.24

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.051384124
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WIMOKHQOYWCCPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.33
Topological Polar Surface Area	42.85
Polarizability	19.04
Ring Count	1
Rotatable Bond Count	4

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