Products for Research Use Only

5-Mercapto-1-methyltetrazole

CAT: 0862-GK5733-25gSize: 25 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0862-GK5733-25gSize:25 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
13183-79-4
EC Number
236-132-2
Purity
98.00%
Molecular Formula
C2H4N4S
Molecular Weight
116.14
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

5-Mercapto-1-methyltetrazole

side chain of several new antibiotics associated with development of hypoprothrombinemia

CAS Number13183-79-4
PubChem CID2723772
IUPAC Name1-methyl-2H-tetrazole-5-thione
Molecular FormulaC2H4N4S
Molecular Weight116.15
XLogP1.3
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity119
SMILES
CN1C(=S)N=NN1
InChI
InChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)
InChIKey
XOHZHMUQBFJTNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Mercapto-1-methyltetrazole
CAS: 13183-79-4
CID: 2723772
Formula: C2H4N4S
MW: 116.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight116.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass116.01566732
Monoisotopic Mass116.01566732
Topological Polar Surface Area72.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes