Home Amines 45534-08-5
45534-08-5,MFCD00005232
Catalog No.:AA003ITX
45534-08-5 | 3-Amino-5-methylthio-1h-1,2,4-triazole
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1g
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5g
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25g
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100g
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500g
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  • Technical Information
  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ITX
Chemical Name:
3-Amino-5-methylthio-1h-1,2,4-triazole
CAS Number:
45534-08-5
Molecular Formula:
C3H6N4S
Molecular Weight:
130.1715
MDL Number:
MFCD00005232
IUPAC Name:
3-methylsulfanyl-1H-1,2,4-triazol-5-amine
InChI:
InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
InChI Key:
XGWWZKBCQLBJNH-UHFFFAOYSA-N
SMILES:
CSc1nc(n[nH]1)N
EC Number:
256-242-4
UNII:
J7QNO3QQR1
NSC Number:
178858
Properties
Computed Properties
 
Complexity:
77.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.031g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.169g/mol
Monoisotopic Mass:
130.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
45534-08-5 
3-Amino-5-methylthio-1H-1,2,4-triazole 
XGWWZKBCQLBJNH-UHFFFAOYSA-N 
3-(methylthio)-1,2,4-triazol-5-amine 
3-Amino-5-(methylthio)-1,2,4-triazole 
5-amino-3-methylthio-1H-1,2,4-triazole 
5-(methylthio)-4H-1,2,4-triazol-3-amine 
3-methylsulfanyl-1H-1,2,4-triazol-5-amine 
1H-1,2,4-Triazol-3-amine,5-(methylthio)- 
5-(methylsulfanyl)-1H-1,2,4-triazol-3-amine 
5-methylthio-4H-1,2,4-triazole-3-ylamine 
EINECS 256-242-4 
5-(Methylthio)-1H-1,2,4-triazol-3-amine 
NSC178858 
NSC 178858 
AC1L2VAY 
5-Methylthio-1H-1,2,4-triazol-3-ylamine 
AC1Q4H7W 
SCHEMBL757019 
ACMC-209k34 
AC1Q7E19 
DTXSID2068476 
CTK4I8871 
1H-1,2,4-Triazol-3-amine, 5-(methylthio)- 
CTK7B5484 
TOS-BB-1218 
ALBB-018487 
STR00904 
ANW-30302 
BBL008445 
MFCD00005232 
SBB005552 
STK395232 
ZINC17019767 
3-(methylthio)-1H-1,2,4-triazol-5-amine 
AKOS000313132 
AKOS002359951 
AKOS002681466 
MB00152 
MCULE-2069921974 
NE18257 
NSC-178858 
s-Triazole, 3-amino-5-(methylthio)- 
KS-000002E8 
AN-16761 
3-Amino-5-methylthio-1,2,4-triazole 
BP-10580 
O149 
SC-54084 
TS-00020 
3-methylthio-5-amino-1H-1,2,4-triazole 
DB-004557 
TC-119047 
CS-0063193 
FT-0614995 
R3761 
5-(methylsulfanyl)-4H-1,2,4-triazol-3-amine 
ST50209077 
1H-1,4-Triazol-3-amine, 5-(methylthio)- 
3-Amino-5-(methylthio)-1H-1,2,4-triazole 
EN300-60763 
1H-1,2,4-Triazol-5-amine, 3-(methylthio)- 
3-amino-5-(methylmercapto)-1h-1,2,4-triazole 
5-(methylsulfanyl)-2H-1,2,4-triazol-3-amine 
5-(Methylsulphanyl)-1H-1,2,4-triazol-3-amine 
5-Methylsulfanyl-1H-[1,2,4]triazol-3-ylamine 
5-Methylsulfanyl-2H-[1,2,4]triazol-3-ylamine 
UNII-J7QNO3QQR1 
3-Amino-5-methylthio-1H-1,2,4-triazole, 98% 
5-methylsulfanyl-1 h-[1,2,4]triazol-3-ylamine 
5-(Methylsulfanyl)-1H-1,2,4-triazol-3-ylamine # 
I11-0621 
W-202803 
3-AMINO-5-METHYLMERCAPTO-1H-1,2,4-TRIAZOLE 
Z18356875 
3-(Methylthio)-1H-1,2,4-triazol-5-amine, AldrichCPR 
F3308-3772 
InChI=1/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7 
J7QNO3QQR1 
Ethyl 4-nitrobenzoate 
C3H6N4S 
C3-H6-N4-S 
CID78471 
AR-1C3212 
A1462 
1H-1,2,4-Triazol-3-amine, 5-(methylthio)- (9CI) 
100-12-9 
5463-65-0 
3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine 
Literature

Title: Ethyl 7-chloro-methyl-5-(2-chloro-phen-yl)-7-hydr-oxy-2-methyl-sulfanyl-4,5,6,7-tetra-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: Ethyl 5-chloro-methyl-2-methyl-sulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

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