3-tert-Butyl-1H-1,2,4-triazole-5-thiol

HCID 2743067CAS 38449-51-3

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Basic information

Standard SMILES
CC(C)(C)c1nc(=S)[nH][nH]1
InChIKey
HKLNUWXQCMKCNX-UHFFFAOYSA-N
Molecular formula
C6H11N3S
Average molar mass
157.242 g/mol
Monoisotopic mass
157.06736835

Names & identifiers

Preferred name
3-tert-Butyl-1H-1,2,4-triazole-5-thiol
IUPAC
5-tert-Butyl-1,2-dihydro-3H-1,2,4-triazole-3-thione
English name
3-tert-butyl-1H-1,2,4-triazole-5-thiol
Molecular formula
C6H11N3S
Molecular weight
157.24

Names & synonyms

3H-1,2,4-Triazole-3-thione, 5-(1,1-dimethylethyl)-1,2-dihydro-3-tert-butyl-1H-1,2,4-triazole-5-thiol5-tert-Butyl-3-mercapto-1H-1,2,4-triazole5-(tert-Butyl)-1H-1,2,4-triazole-3(2H)-thione3-(1,1-DIMETHYLETHYL)-5-MERCAPTO-1,2,4-TRIAZOLE5-tert-butyl-1,2-dihydro-1,2,4-triazole-3-thione5-(1,1-Dimethylethyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

Database identifiers

CAS
38449-51-3
PubChem CID
2743067
DTXSID
DTXSID80191768
ChEMBL
CHEMBL1935510
EC Number
253-939-5
Nikkaji
J294.663G

Properties

Physicochemical properties

Melting point
205 °C · 205 °C
Boiling point
193.5 · 193.5±23.0 °C(Predicted)
Density
1.24 · 1.24±0.1 g/cm3(Predicted)
pka
9.26 · 9.26±0.20(Predicted)

Chemistry & industry

Applications

Uses3-Tert-butyl-1H-1,2,4-triazole-5-thiol is an intermediate in the preparation of the carbamate insecticide pymetrozine.

Upstream & downstream products

Suppliers9 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

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