Tìm theo
4-(Methylsulfanyl)-2-Oxobutanoic Acid
Thuốc Gốc
Small Molecule
CTHH: C5H8O3S
PTK: 148.18
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C5H8O3S
Phân tử khối
148.18
Monoisotopic mass
148.019414812
InChI
InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key
InChIKey=SXFSQZDSUWACKX-UHFFFAOYSA-N
IUPAC Name
4-(methylsulfanyl)-2-oxobutanoic acid
Traditional IUPAC Name
4-(methylsulfanyl)-2-oxobutanoic acid
SMILES
CSCCC(=O)C(O)=O
Độ hòa tan
7.44e+00 g/l
logP
1.12
logS
-1.3
pKa (strongest acidic)
3.3
pKa (Strongest Basic)
-9.7
PSA
54.37 Å2
Refractivity
35.07 m3·mol-1
Polarizability
14.21 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02238
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=473
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507979
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01180
ChemSpider
http://www.chemspider.com/Chemical-Structure.460.html
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