4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione


Chemical Name: 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
CAS Number: 1533519-84-4
Product Number: AG00AOHH(AGN-PC-0WAMG9)
Synonyms:
MDL No: MFCD28404707
Molecular Formula: C15H13N3S
Molecular Weight: 267.3488

Identification/Properties


Computed Properties
Molecular Weight:
267.35g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
267.083g/mol
Monoisotopic Mass:
267.083g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
404
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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