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Home > Thiazole > 1530860-65-1
1530860-65-1 | 7-methyl-1,4-thiazepan-1-one
CAS No: 1530860-65-1 Catalog No: AG01BDZI MDL No:MFCD21725773
Product Description
Catalog Number:
AG01BDZI
Chemical Name:
7-methyl-1,4-thiazepan-1-one
CAS Number:
1530860-65-1
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
MDL Number:
MFCD21725773
IUPAC Name:
7-methyl-1,4-thiazepane 1-oxide
InChI:
InChI=1S/C6H13NOS/c1-6-2-3-7-4-5-9(6)8/h6-7H,2-5H2,1H3
InChI Key:
QANGRKHESHOTPV-UHFFFAOYSA-N
SMILES:
CC1CCNCCS1=O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.072g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.236g/mol
Monoisotopic Mass:
147.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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