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

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

CAS No.:
1966944-40-0
Catalog Number:
AG01B7G2
Molecular Formula:
C7H13NO2S2
Molecular Weight:
207.3136
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B7G2
Chemical Name:
3-(1,5,3-dithiazepan-3-yl)propanoic acid
CAS Number:
1966944-40-0
Molecular Formula:
C7H13NO2S2
Molecular Weight:
207.3136
MDL Number:
MFCD30476158
IUPAC Name:
3-(1,5,3-dithiazepan-3-yl)propanoic acid
InChI:
InChI=1S/C7H13NO2S2/c9-7(10)1-2-8-5-11-3-4-12-6-8/h1-6H2,(H,9,10)
InChI Key:
FWHVJOSGGQASTK-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1CSCCSC1
Properties
Complexity:
146  
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:
3  
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties