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114808-89-8 | 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dithione
CAS No: 114808-89-8 Catalog No: AG000F9R MDL No:
Product Description
Catalog Number:
AG000F9R
Chemical Name:
1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dithione
CAS Number:
114808-89-8
Molecular Formula:
C6H5N3S2
Molecular Weight:
183.2540
IUPAC Name:
1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dithione
InChI:
InChI=1S/C6H5N3S2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)
InChI Key:
INLMYVZKXJLFNR-UHFFFAOYSA-N
SMILES:
S=C1NC(=S)C2C(=CC=N2)N1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.247g/mol
Monoisotopic Mass:
182.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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