methyl 3-amino-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylate dihydrochloride

methyl 3-amino-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylate dihydrochloride

CAS: 1998216-51-5

Formula: C8H12Cl2N2O2S

SMILES: Cl.Cl.COC(=O)C1=C(N)C2=C(CNC2)S1

IUPAC: methyl 3-amino-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylate dihydrochloride

InChI: InChI=1S/C8H10N2O2S.2ClH/c1-12-8(11)7-6(9)4-2-10-3-5(4)13-7;;/h10H,2-3,9H2,1H3;2*1H

Composition: C (35.44%), H (4.46%), Cl (26.15%), N (10.33%), O (11.80%), S (11.82%)

Molar Mass: 271.16

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.9996542
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	STYYWVLQLHVBPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.26
Topological Polar Surface Area	64.35
Polarizability	19.08
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1998216-51-5		$336.60-$2,920.50$336.60$475.20$680.13$1,360.26$2,040.39$2,920.50

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1998216-51-5		$102.14-$151.32$102.14$151.32