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Home > Thiazole > 1798747-20-2
1798747-20-2 | 7-methyl-1,4-thiazepane-1,1-dione hydrochloride
CAS No: 1798747-20-2 Catalog No: AG01BDZF MDL No:MFCD28063745
Product Description
Catalog Number:
AG01BDZF
Chemical Name:
7-methyl-1,4-thiazepane-1,1-dione hydrochloride
CAS Number:
1798747-20-2
Molecular Formula:
C6H14ClNO2S
Molecular Weight:
199.6989
MDL Number:
MFCD28063745
IUPAC Name:
7-methyl-1,4-thiazepane 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C6H13NO2S.ClH/c1-6-2-3-7-4-5-10(6,8)9;/h6-7H,2-5H2,1H3;1H
InChI Key:
PHWKJGSBRPVFMC-UHFFFAOYSA-N
SMILES:
CC1CCNCCS1(=O)=O.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.693g/mol
Monoisotopic Mass:
199.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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