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

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

CAS No.:
1966944-38-6
Catalog Number:
AG01B790
Molecular Formula:
C6H11NO2S2
Molecular Weight:
193.2870
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B790
Chemical Name:
2-(1,5,3-dithiazepan-3-yl)acetic acid
CAS Number:
1966944-38-6
Molecular Formula:
C6H11NO2S2
Molecular Weight:
193.2870
MDL Number:
MFCD30345192
IUPAC Name:
2-(1,5,3-dithiazepan-3-yl)acetic acid
InChI:
InChI=1S/C6H11NO2S2/c8-6(9)3-7-4-10-1-2-11-5-7/h1-5H2,(H,8,9)
InChI Key:
JQWXJYFHHJWGES-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CSCCSC1
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.023g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.279g/mol
Monoisotopic Mass:
193.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties