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1881291-02-6 | "(1-(tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl)methanol"
CAS No: 1881291-02-6 Catalog No: AG01FM7S MDL No:MFCD29764125
Product Description
Catalog Number:
AG01FM7S
Chemical Name:
"(1-(tetrahydro-2H-thiopyran-4-yl)-1H-1,2,3-triazol-4-yl)methanol"
CAS Number:
1881291-02-6
Molecular Formula:
C8H13N3OS
Molecular Weight:
199.2733
MDL Number:
MFCD29764125
IUPAC Name:
[1-(thian-4-yl)triazol-4-yl]methanol
InChI:
InChI=1S/C8H13N3OS/c12-6-7-5-11(10-9-7)8-1-3-13-4-2-8/h5,8,12H,1-4,6H2
InChI Key:
YFCTXHISIROECS-UHFFFAOYSA-N
SMILES:
OCc1nnn(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:
199.078g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.272g/mol
Monoisotopic Mass:
199.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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