Home Other Building Blocks 5-methyl-1,4-thiazepane

5-methyl-1,4-thiazepane

CAS No.:
7670-50-0
Catalog Number:
AG01BDK4
Molecular Formula:
C6H13NS
Molecular Weight:
131.2391
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Product Description
Catalog Number:
AG01BDK4
Chemical Name:
5-methyl-1,4-thiazepane
CAS Number:
7670-50-0
Molecular Formula:
C6H13NS
Molecular Weight:
131.2391
MDL Number:
MFCD19159799
IUPAC Name:
5-methyl-1,4-thiazepane
InChI:
InChI=1S/C6H13NS/c1-6-2-4-8-5-3-7-6/h6-7H,2-5H2,1H3
InChI Key:
JDZGEWJZJFNIGZ-UHFFFAOYSA-N
SMILES:
CC1NCCSCC1
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  
Properties