2-(ethylsulfanyl)pyrimidine-5-carbaldehyde

2-(ethylsulfanyl)pyrimidine-5-carbaldehyde

CAS: 876890-28-7

Formula: C7H8N2OS

SMILES: CCSC1=NC=C(C=O)C=N1

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

InChI: InChI=1S/C7H8N2OS/c1-2-11-7-8-3-6(5-10)4-9-7/h3-5H,2H2,1H3

Composition: C (49.98%), H (4.79%), N (16.65%), O (9.51%), S (19.06%)

Molar Mass: 168.21

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.03573406
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GFSPUASKPCHMEW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.81
Topological Polar Surface Area	42.85
Polarizability	17.21
Ring Count	1
Rotatable Bond Count	3

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Life Chemicals USA, Inc.

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