3-[(carbamoylmethyl)sulfanyl]thiophene-2-carboxylic acid

3-[(carbamoylmethyl)sulfanyl]thiophene-2-carboxylic acid

CAS: 303150-84-7

Formula: C7H7NO3S2

SMILES: NC(=O)CSC1=C(SC=C1)C(O)=O

IUPAC: 3-[(carbamoylmethyl)sulfanyl]thiophene-2-carboxylic acid

InChI: InChI=1S/C7H7NO3S2/c8-5(9)3-13-4-1-2-12-6(4)7(10)11/h1-2H,3H2,(H2,8,9)(H,10,11)

Composition: C (38.70%), H (3.25%), N (6.45%), O (22.09%), S (29.51%)

Molar Mass: 217.26

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.986735437
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NZKRWGPDXLOBQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.02
Topological Polar Surface Area	80.39
Polarizability	19.43
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	303150-84-7		$51.35-$123.45$51.35$63.37$81.94$86.31$123.45