Cas no 24209-43-6 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)-)
![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)- structure](https://ossimg.kuujia.com/scimg/24500/24209-43-6x500.png)
24209-43-6 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)-
CAS No:24209-43-6
MF:C10H10N4O3S3
MW:330.406397342682
CID:278867
PubChem ID:12889186
Update Time:2025-04-19
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)-
- (6R-trans)-7-Amino-8-oxo-3-((1,3,4-thiadiazol-2-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- 7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- OBZPELDGSNYFTD-SVGQVSJJSA-N
- (6R,7R)-3-(((1,3,4-Thiadiazol-2-yl)thio)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R, 7R)-7-amino-8-oxo-3-(1, 3, 4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 7-amino-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R,7R)-7-Amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 24209-43-6
- 7beta-amino-3-(1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid
- DTXSID001107152
- SCHEMBL9193718
- (6R,7R)-7-amino-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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- Inchi： 1S/C10H10N4O3S3/c11-5-7(15)14-6(9(16)17)4(1-18-8(5)14)2-19-10-13-12-3-20-10/h3,5,8H,1-2,11H2,(H,16,17)/t5-,8-/m1/s1
- InChI Key： OBZPELDGSNYFTD-SVGQVSJJSA-N
- SMILES： S1CC(CSC2=NN=CS2)=C(C(=O)O)N2C([C@H]([C@@H]12)N)=O
Computed Properties
- Exact Mass: 329.9917
- Monoisotopic Mass: 329.992
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 486
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: nothing
- Topological Polar Surface Area: 188A^2
Experimental Properties
- Density: 1.79
- Boiling Point: 669.9°Cat760mmHg
- Flash Point: 359°C
- Refractive Index: 1.795
- PSA: 109.41
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)- Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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