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Home > Pyridines > 674284-08-3
674284-08-3 | 4-(3-methoxypropyl)-3-(4-pyridyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
CAS No: 674284-08-3 Catalog No: AG01CKCD MDL No:MFCD00098088
Product Description
Catalog Number:
AG01CKCD
Chemical Name:
4-(3-methoxypropyl)-3-(4-pyridyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
CAS Number:
674284-08-3
Molecular Formula:
C11H14N4OS
Molecular Weight:
250.3201
MDL Number:
MFCD00098088
IUPAC Name:
4-(3-methoxypropyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H14N4OS/c1-16-8-2-7-15-10(13-14-11(15)17)9-3-5-12-6-4-9/h3-6H,2,7-8H2,1H3,(H,14,17)
InChI Key:
NRMVYWCJPNKPSH-UHFFFAOYSA-N
SMILES:
COCCCn1c(n[nH]c1=S)c1ccncc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.32g/mol
Monoisotopic Mass:
250.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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