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Home Other Building Blocks Acetic acid, 2-[(1-pyrrolidinylthioxomethyl)thio]-

Acetic acid, 2-[(1-pyrrolidinylthioxomethyl)thio]-

CAS No.:
20069-28-7
Catalog Number:
AG002CWX
Molecular Formula:
C7H11NO2S2
Molecular Weight:
205.2977
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Product Description
Catalog Number:
AG002CWX
Chemical Name:
Acetic acid, 2-[(1-pyrrolidinylthioxomethyl)thio]-
CAS Number:
20069-28-7
Molecular Formula:
C7H11NO2S2
Molecular Weight:
205.2977
MDL Number:
MFCD00583490
IUPAC Name:
2-(pyrrolidine-1-carbothioylsulfanyl)acetic acid
InChI:
InChI=1S/C7H11NO2S2/c9-6(10)5-12-7(11)8-3-1-2-4-8/h1-5H2,(H,9,10)
InChI Key:
IHGSPAKPEOTIGY-UHFFFAOYSA-N
SMILES:
S=C(N1CCCC1)SCC(=O)O
NSC Number:
85558
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.023g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.29g/mol
Monoisotopic Mass:
205.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties