200,000+ products from a single source!
sales@angenechem.com
2031260-45-2 | "(1-(tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl)methanamine"
CAS No: 2031260-45-2 Catalog No: AG01FMHQ MDL No:MFCD30003663
Product Description
Catalog Number:
AG01FMHQ
Chemical Name:
"(1-(tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl)methanamine"
CAS Number:
2031260-45-2
Molecular Formula:
C8H14N4S
Molecular Weight:
198.2886
MDL Number:
MFCD30003663
IUPAC Name:
[1-(thian-4-yl)triazol-4-yl]methanamine
InChI:
InChI=1S/C8H14N4S/c9-5-7-6-12(11-10-7)8-1-3-13-4-2-8/h6,8H,1-5,9H2
InChI Key:
MVXWIXXBLVVDAC-UHFFFAOYSA-N
SMILES:
NCc1nnn(c1)C1CCSCC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.288g/mol
Monoisotopic Mass:
198.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.