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3-[(prop-2-en-1-yl)amino]-1??-thiolane-1,1-dione hydrochloride

3-[(prop-2-en-1-yl)amino]-1??-thiolane-1,1-dione hydrochloride

CAS: 5553-32-2

Formula: C7H14ClNO2S

SMILES: Cl.C=CCNC1CCS(=O)(=O)C1

IUPAC: 3-[(prop-2-en-1-yl)amino]-1??-thiolane-1,1-dione hydrochloride

InChI: InChI=1/C7H13NO2S.ClH/c1-2-4-8-7-3-5-11(9,10)6-7;/h2,7-8H,1,3-6H2;1H

Composition: C (39.71%), H (6.67%), Cl (16.75%), N (6.62%), O (15.11%), S (15.14%)

Molar Mass: 211.7

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 211.0433776
Formal Charge 0
FSP3 0.71
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WKPLATIOZRZXOQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.41
Topological Polar Surface Area 46.17
Polarizability 18.37
Ring Count 1
Rotatable Bond Count 3

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ChemBridge Corp.
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 5553-32-2 $28.75-$581.90$28.75$93.15$177.10$465.75$581.90
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