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108724-14-7 | 1,4-Thiazepane 1-oxide hydrochloride
CAS No: 108724-14-7 Catalog No: AG007C36 MDL No:MFCD11111967
Product Description
Catalog Number:
AG007C36
Chemical Name:
1,4-Thiazepane 1-oxide hydrochloride
CAS Number:
108724-14-7
Molecular Formula:
C5H12ClNOS
Molecular Weight:
169.6729
MDL Number:
MFCD11111967
IUPAC Name:
1,4-thiazepane 1-oxide;hydrochloride
InChI:
InChI=1S/C5H11NOS.ClH/c7-8-4-1-2-6-3-5-8;/h6H,1-5H2;1H
InChI Key:
LQUZOLKRHGUORG-UHFFFAOYSA-N
SMILES:
O=S1CCNCCC1.Cl
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.667g/mol
Monoisotopic Mass:
169.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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