Tìm theo
5-Methyl-2-(1-Methylethyl)Phenol
Thuốc Gốc
Small Molecule
CAS: 89-83-8
CTHH: C10H14O
PTK: 150.2176
A phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. (Dorland, 28th ed)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14O
Phân tử khối
150.2176
Monoisotopic mass
150.10446507
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChI Key
InChIKey=MGSRCZKZVOBKFT-UHFFFAOYSA-N
IUPAC Name
5-methyl-2-(propan-2-yl)phenol
Traditional IUPAC Name
thymol
SMILES
CC(C)C1=CC=C(C)C=C1O
Độ tan chảy
51.5 °C
Độ sôi
232.5 °C
Độ hòa tan
900 mg/L (at 20 °C)
logP
3.30
logS
-2.4
pKa (strongest acidic)
10.59
pKa (Strongest Basic)
-5.2
PSA
20.23 Å2
Refractivity
47.27 m3·mol-1
Polarizability
17.84 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
10.6 (at 20 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02513
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6989
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504674
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C09908
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D01039
ChemSpider
http://www.chemspider.com/Chemical-Structure.21105998.html
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