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Home > Thiazole > 1428233-61-7
1428233-61-7 | 7-methyl-1,4-thiazepane
CAS No: 1428233-61-7 Catalog No: AG018H21 MDL No:MFCD21725714
Product Description
Catalog Number:
AG018H21
Chemical Name:
7-methyl-1,4-thiazepane
CAS Number:
1428233-61-7
Molecular Formula:
C6H13NS
Molecular Weight:
131.2391
MDL Number:
MFCD21725714
IUPAC Name:
7-methyl-1,4-thiazepane
InChI:
InChI=1S/C6H13NS/c1-6-2-3-7-4-5-8-6/h6-7H,2-5H2,1H3
InChI Key:
VBNZYCQGFMZEMU-UHFFFAOYSA-N
SMILES:
CC1CCNCCS1
Properties
Complexity:
65.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.077g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.237g/mol
Monoisotopic Mass:
131.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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