| CAS Number | 338748-96-2 |
| Catalog Number | AG00IP7P(AGN-PC-0R9DQT) |
| Chemical Name | N-(5-iodo-2-pyridinyl)thiourea |
| IUPAC Name | (5-iodopyridin-2-yl)thiourea |
| InChI | InChI=1S/C6H6IN3S/c7-4-1-2-5(9-3-4)10-6(8)11/h1-3H,(H3,8,9,10,11) |
| InChI Key | CWKXZMWFEPLTCA-UHFFFAOYSA-N |
| MDL Number | MFCD01315199 |
| Molecular Formula | C6H6IN3S |
| Molecular Weight | 279.1014 |
| SMILES | IC1(=CN=C(NC(=S)N)C=C1) |
| Synonyms | 338748-96-2,
N-(5-iodo-2-pyridinyl)thiourea,
(5-iodopyridin-2-yl)thiourea,
MFCD01315199,
Thiourea, N-(5-iodo-2-pyridinyl)-,
AC1LRT7G,
SCHEMBL2781800,
N-(5-Iodo-2-pyridyl)thiourea,
KS-00001WOP,
N-(5-iodopyridin-2-yl)thiourea,
CWKXZMWFEPLTCA-UHFFFAOYSA-N,
ZINC1389484,
AKOS015992791,
MCULE-7230363314,
4M-958,
ZINC01389484,
CID1477100,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.099g/mol |
| Monoisotopic Mass | 278.933g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number