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920493-16-9 | Hydrazinecarbothioamide, N,2-bis(1H-indol-3-ylmethylene)-
CAS No: 920493-16-9 Catalog No: AG0061IG MDL No:
Product Description
Catalog Number:
AG0061IG
Chemical Name:
Hydrazinecarbothioamide, N,2-bis(1H-indol-3-ylmethylene)-
CAS Number:
920493-16-9
Molecular Formula:
C19H15N5S
Molecular Weight:
345.4209
IUPAC Name:
1-(1H-indol-3-ylmethylidene)-3-(1H-indol-3-ylmethylideneamino)thiourea
InChI:
InChI=1S/C19H15N5S/c25-19(22-11-13-9-20-17-7-3-1-5-15(13)17)24-23-12-14-10-21-18-8-4-2-6-16(14)18/h1-12,20-21H,(H,24,25)
InChI Key:
IBYPVBBRTVHCOU-UHFFFAOYSA-N
SMILES:
S=C(N=Cc1c[nH]c2c1cccc2)NN=Cc1c[nH]c2c1cccc2
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.424g/mol
Monoisotopic Mass:
345.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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