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137053-30-6

137053-30-6 | 8H-Isothiazolo[5,4-b]indole, 5-methoxy-

CAS No: 137053-30-6 Catalog No: AG0012RH MDL No:

Product Description

Catalog Number:
AG0012RH
Chemical Name:
8H-Isothiazolo[5,4-b]indole, 5-methoxy-
CAS Number:
137053-30-6
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
7-methoxy-4H-[1,2]thiazolo[5,4-b]indole
InChI:
InChI=1S/C10H8N2OS/c1-13-6-2-3-9-7(4-6)8-5-11-14-10(8)12-9/h2-5,12H,1H3
InChI Key:
DWEXGNMZIFKFOJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1cnsc1[nH]2

Properties

Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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