ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
Thuốc Gốc
Small Molecule
CTHH: C10H13NO4S2
PTK: 275.345
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
275.345
Monoisotopic mass
275.028599289
InChI
InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10-
InChI Key
InChIKey=VZFUNHITNWTQFU-KHPPLWFESA-N
IUPAC Name
{[(Z)-[1-(ethylsulfanyl)-2-phenylethylidene]amino]oxy}sulfonic acid
Traditional IUPAC Name
[(Z)-[1-(ethylsulfanyl)-2-phenylethylidene]amino]oxysulfonic acid
SMILES
CCS\C(CC1=CC=CC=C1)=N/OS(O)(=O)=O
Độ hòa tan
4.52e-02 g/l
logP
1.05
logS
-3.8
pKa (strongest acidic)
-3.4
pKa (Strongest Basic)
0.2
PSA
75.96 Å2
Refractivity
67.04 m3·mol-1
Polarizability
26.8 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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