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2126163-10-6 | 3-methyl-1,4-thiazepane hydrochloride
CAS No: 2126163-10-6 Catalog No: AG01EJ0H MDL No:MFCD31381445
Product Description
Catalog Number:
AG01EJ0H
Chemical Name:
3-methyl-1,4-thiazepane hydrochloride
CAS Number:
2126163-10-6
Molecular Formula:
C6H14ClNS
Molecular Weight:
167.7001
MDL Number:
MFCD31381445
IUPAC Name:
3-methyl-1,4-thiazepane;hydrochloride
InChI:
InChI=1S/C6H13NS.ClH/c1-6-5-8-4-2-3-7-6;/h6-7H,2-5H2,1H3;1H
InChI Key:
YDVWWGPWZJPLJX-UHFFFAOYSA-N
SMILES:
CC1CSCCCN1.Cl
Properties
Complexity:
65.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.695g/mol
Monoisotopic Mass:
167.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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