Cas no 123342-93-8 (Pyrithiobac)
Pyrithiobac structure
Product Name:Pyrithiobac
CAS No:123342-93-8
MF:C13H11ClN2O4S
MW:326.755440950394
CID:63674
PubChem ID:91781
Update Time:2025-04-18
Pyrithiobac Chemical and Physical Properties
Names and Identifiers
-
- Pyrithiobac
- 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
- 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
- 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)be
- 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid
- 2-chloro-6-[(4,6-dimethoxy-2pyrimidinyl)thio]benzoic acid
- 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid
- 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid
- 6-chloro-2-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid
- pyrithyiobac
- UNII-3327Q8RB9O
- CHEMBL2251593
- 3327Q8RB9O
- Pyrithiobac, analytical standard
- 2-CHLORO-6-((4,6-DIMETHOXY-2-PYRIMIDINYL)THIO)BENZOIC ACID
- Q27256209
- PYRITHIOBAC [MI]
- 6QK
- FT-0724008
- QEGVVEOAVNHRAA-UHFFFAOYSA-N
- 123342-93-8
- Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-
- Pyrithiobac [ISO]
- 2-Chloranyl-6-(4,6-Dimethoxypyrimidin-2-Yl)sulfanyl-Benzoic Acid
- DTXSID3037703
- 6-chloro-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
- SCHEMBL117279
- NCGC00163877-01
- NS00015455
-
- Inchi： 1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)
- InChI Key： QEGVVEOAVNHRAA-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1C(=O)O)SC1N=C(C=C(N=1)OC)OC
Computed Properties
- Exact Mass: 326.01300
- Monoisotopic Mass: 326.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 351
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 107A^2
- XLogP3: 3.4
Experimental Properties
- Density: 1.51
- Melting Point: 148-151 oC
- Boiling Point: 546.4°C at 760 mmHg
- Flash Point: 284.3°C
- Refractive Index: 1.651
- PSA: 106.84000
- LogP: 2.99660
Pyrithiobac Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AA26268-100mg |
Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]- |
123342-93-8 | 100mg |
$402.00 | 2024-04-20 | ||
| A2B Chem LLC | AA26268-250mg |
Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]- |
123342-93-8 | 250mg |
$723.00 | 2024-04-20 |
Pyrithiobac Related Literature
-
Mengjia Chao,Xinxin Xu,Aihong Wu,Wei Zhou,Chuanlai Xu,Liqiang Liu,Lingling Guo Anal. Methods 2023 15 4304
-
Mengjia Chao,Xinxin Xu,Aihong Wu,Wei Zhou,Chuanlai Xu,Liqiang Liu,Lingling Guo Anal. Methods 2023 15 4304
-
Dong Ma,Yang Yin,Ying-Lu Chen,Yi-Tao Yan,Jun Wu RSC Adv. 2021 11 15380
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