Tìm theo
1,3-Thiazole-4-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C4H3NO2S
PTK: 129.137
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
129.137
Monoisotopic mass
128.988449035
InChI
InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
InChI Key
InChIKey=HMVYYTRDXNKRBQ-UHFFFAOYSA-N
IUPAC Name
1,3-thiazole-4-carboxylic acid
Traditional IUPAC Name
1,3-thiazole-4-carboxylic acid
SMILES
OC(=O)C1=CSC=N1
Độ hòa tan
3.39e+00 g/l
logP
0.68
logS
-1.6
pKa (strongest acidic)
3.18
pKa (Strongest Basic)
0.059
PSA
50.19 Å2
Refractivity
28.15 m3·mol-1
Polarizability
11.08 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
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