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Home > Indoles and Oxindole > 861208-81-3
861208-81-3 | (1H-indol-4-yl)thiourea
CAS No: 861208-81-3 Catalog No: AG00IS6U MDL No:MFCD03787848
Product Description
Catalog Number:
AG00IS6U
Chemical Name:
(1H-indol-4-yl)thiourea
CAS Number:
861208-81-3
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD03787848
IUPAC Name:
1H-indol-4-ylthiourea
InChI:
InChI=1S/C9H9N3S/c10-9(13)12-8-3-1-2-7-6(8)4-5-11-7/h1-5,11H,(H3,10,12,13)
InChI Key:
VJWGIYAKXYJQPN-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc2c1cc[nH]2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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