| CAS Number | 893726-79-9 |
| Catalog Number | AG01A0QJ |
| Chemical Name | 2-[(5-{[(Naphthalen-1-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide |
| IUPAC Name | 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C15H14N4OS3/c16-17-13(20)9-22-15-19-18-14(23-15)21-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,16H2,(H,17,20) |
| InChI Key | WMQQYXXTWQIFLZ-UHFFFAOYSA-N |
| MDL Number | MFCD07364311 |
| Molecular Formula | C15H14N4OS3 |
| Molecular Weight | 362.4929 |
| SMILES | NNC(CSC1SC(SCC2=C3C(C=CC=C3)=CC=C2)=NN=1)=O |
| Synonyms | 2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetohydrazide,
893726-79-9,
SBB040752,
ZINC36724733,
AKOS000268996,
MCULE-8600486891,
NE13606,
EN300-110768,
2-[5-(naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetohydrazide,
[5-(Naphthalen-1-ylmethylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]acetic acid hydrazide,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.484g/mol |
| Monoisotopic Mass | 362.033g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number