2H-Benzimidazole-2-thione, 1,3-dihydro-5-methoxy-


Chemical Name: 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methoxy-
CAS Number: 37052-78-1
Product Number: AG007CC0(AGN-PC-07A22H)
Synonyms:
MDL No: MFCD00134581
Molecular Formula: C8H8N2OS
Molecular Weight: 180.2269

Identification/Properties


Computed Properties
Molecular Weight:
180.225g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
180.036g/mol
Monoisotopic Mass:
180.036g/mol
Topological Polar Surface Area:
65.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
198
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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