Basic information
- CAS
102175-98-4- Standard SMILES
CCCCCCCCCCCC(=O)OCCc1scnc1C- InChIKey
LHCPRRNPAVNVRX-UHFFFAOYSA-N- Molecular formula
- C18H31NO2S
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.20755041
Names & identifiers
- Preferred name
- 2-(4-Methyl-1,3-thiazol-5-yl)ethyl dodecanoate
- IUPAC
- 2-(4-methyl-1,3-thiazol-5-yl)ethyl dodecanoate
- English name
- 4-Methyl-5-thiazolylethanyl octanoate
- Molecular formula
- C18H31NO2S
- Molecular weight
- 325.51
Names & synonyms
102175-98-4Dodecanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester4-Methyl-5-thiazolylethanyloctanoate4- methyl -5- thiazolyl ethanol octanoate
Database identifiers
- CAS
102175-98-4- PubChem CID
- 122130534
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 424.6 · 424.6±30.0 °C(Predicted)
- Density
- 1.035 · 1.035
- refractive index
- 1.486 · 1.486-1.496
- Flash point
- 110 °C · >110 °C
- pka
- 3.18 · 3.18±0.10(Predicted)
Chemistry & industry
Suppliers12 total
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Nanjing Dolon Biotechnology Co.,Ltd.18905173768 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
重庆卡兰医药有限公司[email protected]
武汉拉那白医药化工有限公司027-81819291; 15307151931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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