Home Other Building Blocks 3-phenyl-1,4-thiazepane

3-phenyl-1,4-thiazepane

CAS No.:
1485107-76-3
Catalog Number:
AG01BU75
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
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Product Description
Catalog Number:
AG01BU75
Chemical Name:
3-phenyl-1,4-thiazepane
CAS Number:
1485107-76-3
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
MDL Number:
MFCD21722031
IUPAC Name:
3-phenyl-1,4-thiazepane
InChI:
InChI=1S/C11H15NS/c1-2-5-10(6-3-1)11-9-13-8-4-7-12-11/h1-3,5-6,11-12H,4,7-9H2
InChI Key:
AARKAEMAUXIRMT-UHFFFAOYSA-N
SMILES:
C1CCNC(CS1)c1ccccc1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties