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71309-43-8 | 1H-Thieno[2,3-d]imidazol-2(3H)-one
CAS No: 71309-43-8 Catalog No: AG00FH6O MDL No:
Product Description
Catalog Number:
AG00FH6O
Chemical Name:
1H-Thieno[2,3-d]imidazol-2(3H)-one
CAS Number:
71309-43-8
Molecular Formula:
C5H4N2OS
Molecular Weight:
140.1631
IUPAC Name:
1,3-dihydrothieno[2,3-d]imidazol-2-one
InChI:
InChI=1S/C5H4N2OS/c8-5-6-3-1-2-9-4(3)7-5/h1-2H,(H2,6,7,8)
InChI Key:
TWLVBDIMPJJOPK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)ccs2
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.16g/mol
Monoisotopic Mass:
140.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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