Home Other Building Blocks 2-(1,5,3-dithiazepan-3-yl)propanoic acid

2-(1,5,3-dithiazepan-3-yl)propanoic acid

CAS No.:
1966944-46-6
Catalog Number:
AG01B791
Molecular Formula:
C7H13NO2S2
Molecular Weight:
207.3136
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Product Description
Catalog Number:
AG01B791
Chemical Name:
2-(1,5,3-dithiazepan-3-yl)propanoic acid
CAS Number:
1966944-46-6
Molecular Formula:
C7H13NO2S2
Molecular Weight:
207.3136
MDL Number:
MFCD30476147
IUPAC Name:
2-(1,5,3-dithiazepan-3-yl)propanoic acid
InChI:
InChI=1S/C7H13NO2S2/c1-6(7(9)10)8-4-11-2-3-12-5-8/h6H,2-5H2,1H3,(H,9,10)
InChI Key:
VYLOVQSYVKDJAY-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)N1CSCCSC1
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.306g/mol
Monoisotopic Mass:
207.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties