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164916-45-4 | 3-Thiophenecarboxylic acid, 4-aminotetrahydro-, cis- (9CI)
CAS No: 164916-45-4 Catalog No: AG001V54 MDL No:
Product Description
Catalog Number:
AG001V54
Chemical Name:
3-Thiophenecarboxylic acid, 4-aminotetrahydro-, cis- (9CI)
CAS Number:
164916-45-4
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
(3R,4R)-4-aminothiolane-3-carboxylic acid
InChI:
InChI=1S/C5H9NO2S/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1
InChI Key:
PFPQHZAVYICYEM-DMTCNVIQSA-N
SMILES:
N[C@H]1CSC[C@H]1C(=O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
Literature
| Title | Journal |
|---|---|
| Novel antifungal beta-amino acids: synthesis and activity against Candida albicans. | Bioorganic & medicinal chemistry letters 20030210 |
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