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1781164-65-5 | 3-cyclobutyl-1,4-thiazepane
CAS No: 1781164-65-5 Catalog No: AG01BJ1R MDL No:MFCD30751492
Product Description
Catalog Number:
AG01BJ1R
Chemical Name:
3-cyclobutyl-1,4-thiazepane
CAS Number:
1781164-65-5
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
MDL Number:
MFCD30751492
IUPAC Name:
3-cyclobutyl-1,4-thiazepane
InChI:
InChI=1S/C9H17NS/c1-3-8(4-1)9-7-11-6-2-5-10-9/h8-10H,1-7H2
InChI Key:
YPNAWUIOXCMYPD-UHFFFAOYSA-N
SMILES:
C1CCNC(CS1)C1CCC1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.302g/mol
Monoisotopic Mass:
171.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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