| CAS Number | 6823-89-8 |
| Catalog Number | AG00IXT3(AGN-PC-0L0NSS) |
| Chemical Name | [(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]thiourea |
| IUPAC Name | [(1-methylpyrrol-2-yl)methylideneamino]thiourea |
| InChI | InChI=1S/C7H10N4S/c1-11-4-2-3-6(11)5-9-10-7(8)12/h2-5H,1H3,(H3,8,10,12) |
| InChI Key | SUSIQENTYZSKAW-UHFFFAOYSA-N |
| MDL Number | MFCD01568653 |
| Molecular Formula | C7H10N4S |
| Molecular Weight | 182.2461 |
| SMILES | CN1C(=CC=C1)C=NNC(N)=S |
| Synonyms | 6823-89-8,
2-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]-1-hydrazinecarbothioamide,
[(1-methylpyrrol-2-yl)methylideneamino]thiourea,
AC1MYB97,
[(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]thiourea,
KS-00001UPP,
HMS2669M07,
AKOS017263559,
MCULE-4649859715,
ZINC02381125,
CID3829092,
N-methylpyrrole aldehyde thiosemicarbazone,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.245g/mol |
| Monoisotopic Mass | 182.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number