| CAS Number | 122305-64-0 |
| Catalog Number | AG00HGPD(AGN-PC-0WAPMW) |
| Chemical Name | 4-Fluorobenzyl carbamimidothioate, HCl |
| IUPAC Name | [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium;chloride |
| InChI | InChI=1S/C8H9FN2S.ClH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H |
| InChI Key | STUFCQTWEPJJSZ-UHFFFAOYSA-N |
| MDL Number | MFCD00484360 |
| Molecular Formula | C8H10ClFN2S |
| Molecular Weight | 220.6948 |
| SMILES | [Cl-].S(C(=[NH2+])N)CC1(=CC=C(F)C=C1) |
| Synonyms | amino[(4-fluorobenzyl)sulfanyl]methaniminium chloride,
122305-64-0,
AC1MBWLQ,
HMS562K21,
KS-00001R1R,
[amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium Chloride,
AKOS005075800,
10P-049,
{[(4-fluorophenyl)methyl]sulfanyl}methanimidamide hydrochloride,
CID2732440,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.69g/mol |
| Monoisotopic Mass | 220.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number