| CAS Number | 24827-37-0 |
| Catalog Number | AG002PKT(AGN-PC-0KXXYZ) |
| Chemical Name | 1-(4-Chlorobenzyl)thiourea |
| IUPAC Name | (4-chlorophenyl)methylthiourea |
| InChI | InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12) |
| InChI Key | CRHPDONOCLCOOR-UHFFFAOYSA-N |
| MDL Number | MFCD00060466 |
| Molecular Formula | C8H9ClN2S |
| Molecular Weight | 200.6885 |
| SMILES | NC(NCC1=CC=C(Cl)C=C1)=S |
| Synonyms | 1-(4-Chlorobenzyl)-2-thiourea,
24827-37-0,
1-(4-Chlorobenzyl)thiourea,
(4-chlorophenyl)methylthiourea,
Thiourea, N-[(4-chlorophenyl)methyl]-,
AC1MUWDF,
SCHEMBL5064965,
CTK4F4469,
DTXSID80394631,
CRHPDONOCLCOOR-UHFFFAOYSA-N,
ZINC2528138,
MFCD00060466,
AKOS009280791,
SC-53218,
DB-018557,
TR-011414,
FT-0682155,
Y-9350,
I01-14260,
CID3647757,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.684g/mol |
| Monoisotopic Mass | 200.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number