| CAS Number | 874766-81-1 |
| Catalog Number | AG00IEM2(AGN-PC-0WAMCM) |
| Chemical Name | 4-(3-Bromophenyl)pyrimidine-2(1H)-thione |
| IUPAC Name | 6-(3-bromophenyl)-1H-pyrimidine-2-thione |
| InChI | InChI=1S/C10H7BrN2S/c11-8-3-1-2-7(6-8)9-4-5-12-10(14)13-9/h1-6H,(H,12,13,14) |
| InChI Key | ZTGRVGZIABYSCD-UHFFFAOYSA-N |
| MDL Number | MFCD01940449 |
| Molecular Formula | C10H7BrN2S |
| Molecular Weight | 267.1450 |
| SMILES | BrC1=CC(=CC=C1)C1=NC(=S)NC=C1 |
| Synonyms | 874766-81-1,
4-(3-Bromophenyl)pyrimidine-2(1H)-thione,
4-(3-BROMO-PHENYL)-PYRIMIDINE-2-THIOL,
DTXSID70695028,
MFCD01940449,
ZINC66054505,
AKOS025212211,
AKOS025396437,
DS-8702,
KS-00000T42,
AK174335,
6-(3-bromophenyl)-1H-pyrimidine-2-thione,
6-(3-Bromophenyl)pyrimidine-2(1H)-thione,
4-(3-BROMOPHENYL)PYRIMIDINE-2-THIOL,
6-(3-broMophenyl)-1,2-dihydropyriMidine-2-thione,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.144g/mol |
| Monoisotopic Mass | 265.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number