methyl 3-amino-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylate

methyl 3-amino-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylate

CAS: 175202-07-0

Formula: C10H15NO4S3

SMILES: COC(=O)C1=C(N)C(=C(SC)S1)S(=O)(=O)C(C)C

IUPAC: methyl 3-amino-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylate

InChI: InChI=1S/C10H15NO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,11H2,1-4H3

Composition: C (38.82%), H (4.89%), N (4.53%), O (20.68%), S (31.08%)

Molar Mass: 309.41

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.016321489
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MAKNYIHVISBSOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.6
Topological Polar Surface Area	86.46
Polarizability	29.27
Ring Count	1
Rotatable Bond Count	5

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90%	<2 Days	175202-07-0		$51.35-$86.31$51.35$63.37$86.31