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10442-99-6 | 1H,4H,5H,6H-cyclopenta[d]imidazole-2-thiol
CAS No: 10442-99-6 Catalog No: AG01BACL MDL No:MFCD23841848
Product Description
Catalog Number:
AG01BACL
Chemical Name:
1H,4H,5H,6H-cyclopenta[d]imidazole-2-thiol
CAS Number:
10442-99-6
Molecular Formula:
C6H8N2S
Molecular Weight:
140.2061
MDL Number:
MFCD23841848
IUPAC Name:
3,4,5,6-tetrahydro-1H-cyclopenta[d]imidazole-2-thione
InChI:
InChI=1S/C6H8N2S/c9-6-7-4-2-1-3-5(4)8-6/h1-3H2,(H2,7,8,9)
InChI Key:
JQOCDEYTHCYOPD-UHFFFAOYSA-N
SMILES:
Sc1[nH]c2c(n1)CCC2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.041g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.204g/mol
Monoisotopic Mass:
140.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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