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Home Other Building Blocks 2-ISOTHIOCYANATOPYRIDINE

2-ISOTHIOCYANATOPYRIDINE

CAS No.:
52648-45-0
Catalog Number:
AG00DEAA
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$281
- +
1g
98%
1 week
United States
$524
- +
Product Description
Catalog Number:
AG00DEAA
Chemical Name:
2-ISOTHIOCYANATOPYRIDINE
CAS Number:
52648-45-0
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
MDL Number:
MFCD01074884
IUPAC Name:
2-isothiocyanatopyridine
InChI:
InChI=1S/C6H4N2S/c9-5-8-6-3-1-2-4-7-6/h1-4H
InChI Key:
WFJPRCMYUOOTNS-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccn1
EC Number:
258-068-4
NSC Number:
202616
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.01g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.172g/mol
Monoisotopic Mass:
136.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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