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122230-57-3 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[2-(1-pyrrolidinyl)ethyl]-
CAS No: 122230-57-3 Catalog No: AG0016YF MDL No:
Product Description
Catalog Number:
AG0016YF
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[2-(1-pyrrolidinyl)ethyl]-
CAS Number:
122230-57-3
Molecular Formula:
C8H14N4S
Molecular Weight:
198.2886
IUPAC Name:
4-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C8H14N4S/c13-8-10-9-7-12(8)6-5-11-3-1-2-4-11/h7H,1-6H2,(H,10,13)
InChI Key:
KLHNIESVPQVDDU-UHFFFAOYSA-N
SMILES:
S=c1[nH]ncn1CCN1CCCC1
Properties
Complexity:
222
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.288g/mol
Monoisotopic Mass:
198.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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