Tìm theo
1-(2,2'-bithiophen-5-yl)methanamine
Thuốc Gốc
Small Molecule
CTHH: C9H9NS2
PTK: 195.304
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H9NS2
Phân tử khối
195.304
Monoisotopic mass
195.017640673
InChI
InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
InChI Key
InChIKey=FHYTVXBZSXZMGD-UHFFFAOYSA-N
IUPAC Name
[5-(thiophen-2-yl)thiophen-2-yl]methanamine
Traditional IUPAC Name
[5-(thiophen-2-yl)thiophen-2-yl]methanamine
SMILES
NCC1=CC=C(S1)C1=CC=CS1
Độ hòa tan
1.37e-01 g/l
logP
2.43
logS
-3.1
pKa (Strongest Basic)
8.77
PSA
26.02 Å2
Refractivity
53.23 m3·mol-1
Polarizability
20.94 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB07094
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2776424
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443565
ChemSpider
http://www.chemspider.com/Chemical-Structure.2056742.html
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