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Home Other Building Blocks 2-(3-methylpiperidine-1-carbothioylsulfanyl)acetic acid

2-(3-methylpiperidine-1-carbothioylsulfanyl)acetic acid

CAS No.:
6499-11-2
Catalog Number:
AG019O41
Molecular Formula:
C9H15NO2S2
Molecular Weight:
233.3509
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Product Description
Catalog Number:
AG019O41
Chemical Name:
2-(3-methylpiperidine-1-carbothioylsulfanyl)acetic acid
CAS Number:
6499-11-2
Molecular Formula:
C9H15NO2S2
Molecular Weight:
233.3509
MDL Number:
MFCD06655444
IUPAC Name:
2-(3-methylpiperidine-1-carbothioyl)sulfanylacetic acid
InChI:
InChI=1S/C9H15NO2S2/c1-7-3-2-4-10(5-7)9(13)14-6-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChI Key:
MVHAGEYWNWUNDP-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)C(=S)SCC(=O)O
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.344g/mol
Monoisotopic Mass:
233.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
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