tetrahydro-3',5'-dichloromethotrexate

Modify Date: 2025-09-20 22:39:04

tetrahydro-3',5'-dichloromethotrexate Structure
tetrahydro-3',5'-dichloromethotrexate structure
Common Name tetrahydro-3',5'-dichloromethotrexate
CAS Number 17700-70-8 Molecular Weight 410.748
Density 1.0±0.1 g/cm3 Boiling Point 507.1±45.0 °C at 760 mmHg
Molecular Formula C18H42N4S3 Melting Point N/A
MSDS N/A Flash Point 260.5±28.7 °C

 Names

Name 1,1',1''-[Nitrilotris(2,1-ethanediylimino)]tris(2-methyl-2-propanethiol)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 507.1±45.0 °C at 760 mmHg
Molecular Formula C18H42N4S3
Molecular Weight 410.748
Flash Point 260.5±28.7 °C
Exact Mass 410.257172
LogP 3.44
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.527
InChIKey XWEXDVHAJDWLCH-ACGXKRRESA-N
SMILES CN(CC1CNc2nc(N)nc(N)c2N1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Cl

 Synonyms

1,1',1''-[Nitrilotris(2,1-ethanediylimino)]tris(2-methyl-2-propanethiol)
2-Propanethiol, 1,1',1''-[nitrilotris(2,1-ethanediylimino)]tris[2-methyl-
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