Home Other Building Blocks 3-(propan-2-ylsulfanyl)-1H-1,2,4-triazol-5-amine

3-(propan-2-ylsulfanyl)-1H-1,2,4-triazol-5-amine

CAS No.:
51420-47-4
Catalog Number:
AG01EI2R
Molecular Formula:
C5H10N4S
Molecular Weight:
158.2247
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Product Description
Catalog Number:
AG01EI2R
Chemical Name:
3-(propan-2-ylsulfanyl)-1H-1,2,4-triazol-5-amine
CAS Number:
51420-47-4
Molecular Formula:
C5H10N4S
Molecular Weight:
158.2247
MDL Number:
MFCD08273676
IUPAC Name:
3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-amine
InChI:
InChI=1S/C5H10N4S/c1-3(2)10-5-7-4(6)8-9-5/h3H,1-2H3,(H3,6,7,8,9)
InChI Key:
BRYMYSNVAZLFNM-UHFFFAOYSA-N
SMILES:
CC(Sc1n[nH]c(n1)N)C
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.223g/mol
Monoisotopic Mass:
158.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties