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Home > Indoles and Oxindole > 81041-01-2
81041-01-2 | (2-METHYL-1H-INDOL-3-YL) CARBAMIMIDOTHIOATE
CAS No: 81041-01-2 Catalog No: AG01ATBQ MDL No:MFCD01461875
Product Description
Catalog Number:
AG01ATBQ
Chemical Name:
(2-METHYL-1H-INDOL-3-YL) CARBAMIMIDOTHIOATE
CAS Number:
81041-01-2
MDL Number:
MFCD01461875
IUPAC Name:
(2-methyl-1H-indol-3-yl) carbamimidothioate
InChI:
InChI=1S/C10H11N3S/c1-6-9(14-10(11)12)7-4-2-3-5-8(7)13-6/h2-5,13H,1H3,(H3,11,12)
InChI Key:
ZPRYXKKXQDEZCP-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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