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37859-40-8

37859-40-8 | Benzothiazole, 2-[(methylthio)methyl]- (9CI)

CAS No: 37859-40-8 Catalog No: AG00D3AP MDL No:

Product Description

Catalog Number:
AG00D3AP
Chemical Name:
Benzothiazole, 2-[(methylthio)methyl]- (9CI)
CAS Number:
37859-40-8
IUPAC Name:
2-(methylsulfanylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS2/c1-11-6-9-10-7-4-2-3-5-8(7)12-9/h2-5H,6H2,1H3
InChI Key:
RCZKOPWNVGQNGE-UHFFFAOYSA-N

Properties

Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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