ethyl 2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetate

ethyl 2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetate

CAS: 937599-90-1

Formula: C12H12N2O2S2

SMILES: CCOC(=O)CSC1=NC=CC(=N1)C1=CC=CS1

IUPAC: ethyl 2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetate

InChI: InChI=1S/C12H12N2O2S2/c1-2-16-11(15)8-18-12-13-6-5-9(14-12)10-4-3-7-17-10/h3-7H,2,8H2,1H3

Composition: C (51.41%), H (4.31%), N (9.99%), O (11.41%), S (22.87%)

Molar Mass: 280.36

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.034019982
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MLZGGAWRSPTELN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.83
Topological Polar Surface Area	52.08
Polarizability	29.37
Ring Count	2
Rotatable Bond Count	6

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	937599-90-1		$65.00$65.00