3-amino-N-methyl-1,1-dioxo-1??-thietane-3-carboxamide

3-amino-N-methyl-1,1-dioxo-1??-thietane-3-carboxamide

CAS: 2306262-13-3

Formula: C5H10N2O3S

SMILES: CNC(=O)C1(N)CS(=O)(=O)C1

IUPAC: 3-amino-N-methyl-1,1-dioxo-1??-thietane-3-carboxamide

InChI: InChI=1S/C5H10N2O3S/c1-7-4(8)5(6)2-11(9,10)3-5/h2-3,6H2,1H3,(H,7,8)

Composition: C (33.70%), H (5.66%), N (15.72%), O (26.93%), S (17.99%)

Molar Mass: 178.21

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	178.041213364
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZSVUYSXZRIASGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.03
Topological Polar Surface Area	89.26
Polarizability	16.26
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2306262-13-3		$336.69-$925.57$336.69$554.84$925.57