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1881291-24-2 | "4-(chloromethyl)-1-(tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazole"
CAS No: 1881291-24-2 Catalog No: AG01FN4D MDL No:MFCD29764124
Product Description
Catalog Number:
AG01FN4D
Chemical Name:
"4-(chloromethyl)-1-(tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazole"
CAS Number:
1881291-24-2
Molecular Formula:
C8H12ClN3S
Molecular Weight:
217.7190
MDL Number:
MFCD29764124
IUPAC Name:
4-(chloromethyl)-1-(thian-4-yl)triazole
InChI:
InChI=1S/C8H12ClN3S/c9-5-7-6-12(11-10-7)8-1-3-13-4-2-8/h6,8H,1-5H2
InChI Key:
FAHYSFWCIAFJSR-UHFFFAOYSA-N
SMILES:
ClCc1nnn(c1)C1CCSCC1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.715g/mol
Monoisotopic Mass:
217.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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