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Home > Thiazole > 1788805-87-7
1788805-87-7 | 6-methyl-1lambda4,4-thiazepan-1-one hydrochloride
CAS No: 1788805-87-7 Catalog No: AG01BE6V MDL No:MFCD28063971
Product Description
Catalog Number:
AG01BE6V
Chemical Name:
6-methyl-1lambda4,4-thiazepan-1-one hydrochloride
CAS Number:
1788805-87-7
Molecular Formula:
C6H14ClNOS
Molecular Weight:
183.6995
MDL Number:
MFCD28063971
IUPAC Name:
6-methyl-1,4-thiazepane 1-oxide;hydrochloride
InChI:
InChI=1S/C6H13NOS.ClH/c1-6-4-7-2-3-9(8)5-6;/h6-7H,2-5H2,1H3;1H
InChI Key:
AGHVNFRMRFBCLR-UHFFFAOYSA-N
SMILES:
CC1CNCCS(=O)C1.Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.694g/mol
Monoisotopic Mass:
183.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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