CSC1=NC=NN1
CAS: 7411-18-9
Name: 5-methylsulfanyl-1H-1,2,4-triazole
SMILES: CSC1=NC=NN1

Molecular Processing

Molecular formula
C3H5N3S
Molecular weight
115.16
Exact mass
115.0204
XLogP
0.53
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
28.16

Supplementary Information

InChIKey: QBQOOUMQVKQIQH-UHFFFAOYSA-N
Synonyms
7411-18-93-Methylthio-4H-1,2,4-triazole3-(methylthio)-4h-1,2,4-triazole3-(Methylthio)-1H-1,2,4-triazole5-methylsulfanyl-1H-1,2,4-triazole5-(methylthio)-1H-1,2,4-triazole1H-1,2,4-Triazole,5-(methylthio)-3-(methylsulfanyl)-4H-1,2,4-triazole3-(Methylthio)-1,2,4-triazole1H-1,2,4-Triazole, 3-(methylthio)-MFCD01312671S-Triazole, 3-(methylthio)-3-(methylsulfanyl)-1H-1,2,4-triazole5-(methylsulfanyl)-1H-1,2,4-triazoleSCHEMBL595649SCHEMBL762994SCHEMBL9031703-methylthio-1,2,4-triazole5-methylthio-1,2,4-triazoleSCHEMBL1728279SCHEMBL2357219SCHEMBL4786023SCHEMBL6242906SCHEMBL6959329SCHEMBL7332206SCHEMBL28875651DTXSID303417315-methylthio-1H-1,2,4-triazole3-Methylthio-1H-1,2,4-triazoleHAA41118
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Involved in 3 reactions→

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