2-chloro-5H,7H-6??-thieno[3,4-d]pyrimidine-6,6-dione

2-chloro-5H,7H-6??-thieno[3,4-d]pyrimidine-6,6-dione

CAS: 1783678-42-1

Formula: C6H5ClN2O2S

SMILES: ClC1=NC=C2CS(=O)(=O)CC2=N1

IUPAC: 2-chloro-5H,7H-6??-thieno[3,4-d]pyrimidine-6,6-dione

InChI: InChI=1S/C6H5ClN2O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2

Composition: C (35.22%), H (2.46%), Cl (17.32%), N (13.69%), O (15.64%), S (15.67%)

Molar Mass: 204.63

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.9760263
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SPHRHSDASJTVEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.01
Topological Polar Surface Area	59.92
Polarizability	17.82
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1783678-42-1		$346.78-$554.84$346.78$554.84