Basic information
- CAS
41840-29-3- Standard SMILES
COc1ccc(COC(=O)Sc2nc(C)cc(C)n2)cc1- InChIKey
DDIJXDDZBQMPDQ-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.08816355
Names & identifiers
- Preferred name
- S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate
- IUPAC
- (4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
- English name
- p-Methoxybenzyl S-(4,6-dimethylpyrimidin-2-yl) thiocarbonate
- Molecular formula
- C15H16N2O3S
- Molecular weight
- 304.36
Names & synonyms
41840-29-3p-Methoxybenzyl S-(4,6-Dimethylpyrimidin-2-yl)thiocarbonate(4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-yl)sulfanylformateS-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonates-(4,6-dimethylpyrimidin-2-yl) o-(4-methoxybenzyl) carbonothioate(4-methoxyphenyl)methyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]formateNSC-332547Carbonothioic acid, S-(4,6-dimethyl-2-pyrimidinyl) O-[(4-methoxyphenyl)methyl] ester(4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-ylthio)formateEINECS 255-563-7NSC3325478UW6CP3CJ3
Show more names
thiocarbonatePM-Z-SMZ-SDPLABOTEST-BB LT00452530p-Methoxybenzyl S-(4,6-Dimethylpyrimidin-2-yl)P-methoxybenzyl S-(4,6-*dimethylpyrimidin-2-yl) TP-METHOXYBENZYL S-(4,6-*DIMETHYLPYRIMIDI N-2-YL) THI4-methoxybenzyl (4,6-dimethylpyrimidinyl) thiolcarbonate2-((p-Methoxybenzyloxycarbonyl)thio)-4,6-dimethylpyrimidine
SCHEMBL5521119DTXSID50194645MFCD00006081SBB057730AKOS015998750NSC 332547AS-82063NS00057101
Database identifiers
- CAS
41840-29-3- PubChem CID
- 100623
- DTXSID
DTXSID50194645- UNII
- 8UW6CP3CJ3
- EC Number
- 255-563-7
- Nikkaji
- J149.461I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 488.9 · 488.9±47.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- powder
- pka
- 0.05 · 0.05±0.50(Predicted)
- color
- light yellow
- FDA UNII
- 8 UW6CP3CJ3 · 8UW6CP3CJ3
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Suppliers18 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
吉尔生化(上海)有限公司21-61263452 13641803416 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
6 records
Compound notes
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