| CAS Number | 68700-68-5 |
| Catalog Number | AG005OLN(AGN-PC-0L5RG1) |
| Chemical Name | 1-methyl-5-(methylsulfanyl)-1H-1,2,3,4-tetrazole |
| IUPAC Name | 1-methyl-5-methylsulfanyltetrazole |
| InChI | InChI=1S/C3H6N4S/c1-7-3(8-2)4-5-6-7/h1-2H3 |
| InChI Key | LXYHDGHYFGKBMN-UHFFFAOYSA-N |
| MDL Number | MFCD00171475 |
| Molecular Formula | C3H6N4S |
| Molecular Weight | 130.1715 |
| SMILES | CSC1N(C)N=NN=1 |
| Synonyms | 68700-68-5,
1-methyl-5-(methylsulfanyl)-1H-1,2,3,4-tetrazole,
1H-Tetrazole, 1-methyl-5-(methylthio)-,
1-methyl-5-methylthiotetrazole,
1-methyl-5-methylsulfanyl-tetrazole,
AC1N46SP,
SCHEMBL1235535,
CTK1J1824,
DTXSID00399587,
1-methyl-5-methylsulfanyltetrazole,
ZINC3108049,
AKOS024434324,
AG-G-65477,
MCULE-3808358926,
NE28115,
1-METHYL-5-(METHYLTHIO)-1H-TETRAZOLE,
CID4124651,
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| Complexity | 77.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.169g/mol |
| Monoisotopic Mass | 130.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number