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222036-26-2

222036-26-2 | 7H-Pyrrolo[2,3-g]benzothiazol-7-one,6,8-dihydro-8-(methylthio)-

CAS No: 222036-26-2 Catalog No: AG007P7Y MDL No:MFCD07357386

Product Description

Catalog Number:
AG007P7Y
Chemical Name:
7H-Pyrrolo[2,3-g]benzothiazol-7-one,6,8-dihydro-8-(methylthio)-
CAS Number:
222036-26-2
Molecular Formula:
C10H8N2OS2
Molecular Weight:
236.3133
MDL Number:
MFCD07357386
IUPAC Name:
8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one
InChI:
InChI=1S/C10H8N2OS2/c1-14-9-7-5(12-10(9)13)2-3-6-8(7)15-4-11-6/h2-4,9H,1H3,(H,12,13)
InChI Key:
CDDAPLGLEUDMCX-UHFFFAOYSA-N
SMILES:
CSC1C(=O)Nc2c1c1scnc1cc2

Properties

Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.008g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.307g/mol
Monoisotopic Mass:
236.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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