thieno[2,3-d]pyrimidine-5-carboxylic acid

thieno[2,3-d]pyrimidine-5-carboxylic acid

CAS: 1557780-28-5

Formula: C7H4N2O2S

SMILES: OC(=O)C1=CSC2=NC=NC=C12

IUPAC: thieno[2,3-d]pyrimidine-5-carboxylic acid

InChI: InChI=1S/C7H4N2O2S/c10-7(11)5-2-12-6-4(5)1-8-3-9-6/h1-3H,(H,10,11)

Composition: C (46.66%), H (2.24%), N (15.55%), O (17.76%), S (17.79%)

Molar Mass: 180.18

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.999348551
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OLNLDUFKOYOGAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.27
Topological Polar Surface Area	63.08
Polarizability	16.49
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1557780-28-5		$266.07-$409.83$266.07$409.83