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101184-85-4 | 1,4-Thiazepine, hexahydro-
CAS No: 101184-85-4 Catalog No: AG0003W9 MDL No:MFCD15209531
Product Description
Catalog Number:
AG0003W9
Chemical Name:
1,4-Thiazepine, hexahydro-
CAS Number:
101184-85-4
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
MDL Number:
MFCD15209531
IUPAC Name:
1,4-thiazepane
InChI:
InChI=1S/C5H11NS/c1-2-6-3-5-7-4-1/h6H,1-5H2
InChI Key:
OQFUNFPIPRUQAE-UHFFFAOYSA-N
SMILES:
C1CNCCSC1
Properties
Complexity:
47.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.061g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.21g/mol
Monoisotopic Mass:
117.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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