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14294-12-3

14294-12-3 | Thiourea, 2-benzothiazolyl- (9CI)

CAS No: 14294-12-3 Catalog No: AG00AJV6 MDL No:

Product Description

Catalog Number:
AG00AJV6
Chemical Name:
Thiourea, 2-benzothiazolyl- (9CI)
CAS Number:
14294-12-3
IUPAC Name:
1,3-benzothiazol-2-ylthiourea
InChI:
InChI=1S/C8H7N3S2/c9-7(12)11-8-10-5-3-1-2-4-6(5)13-8/h1-4H,(H3,9,10,11,12)
InChI Key:
JCPDRSRFHBJDLV-UHFFFAOYSA-N

Properties

Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.285g/mol
Monoisotopic Mass:
209.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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

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