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1??,4-thiazepan-1-one hydrochloride

1??,4-thiazepan-1-one hydrochloride

CAS: 108724-14-7

Formula: C5H12ClNOS

SMILES: Cl.O=S1CCCNCC1

IUPAC: 1??,4-thiazepan-1-one hydrochloride

InChI: InChI=1/C5H11NOS.ClH/c7-8-4-1-2-6-3-5-8;/h6H,1-5H2;1H

Composition: C (35.40%), H (7.13%), Cl (20.89%), N (8.26%), O (9.43%), S (18.90%)

Molar Mass: 169.67

Atom Count: 21

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 169.0328129
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LQUZOLKRHGUORG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.4
Topological Polar Surface Area 29.1
Polarizability 14.36
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 108724-14-7 $163.93-$247.16$163.93$247.16
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