| CAS Number | 861208-81-3 |
| Catalog Number | AG00IS6U(AGN-PC-0WASCN) |
| Chemical Name | N-(1H-indol-4-yl)thiourea |
| 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 |
| MDL Number | MFCD03787848 |
| Molecular Formula | C9H9N3S |
| Molecular Weight | 191.2529 |
| SMILES | S=C(NC2(=C1(C(NC=C1)=CC=C2)))N |
| Synonyms | N-(1H-indol-4-yl)thiourea,
(1H-indol-4-yl)thiourea,
861208-81-3,
1H-indol-4-ylthiourea,
AC1MX7X9,
MLS000721467,
SCHEMBL3234925,
CHEMBL1542084,
KS-00001UQL,
HMS2624M16,
MFCD03787848,
ZINC13571660,
AKOS015992430,
MCULE-1326788883,
SMR000337095,
2P-069,
ZINC04051471,
CID3761381,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number