Compound C5H9N3O4S2

2lambda6,6lambda6-dithia-1,3,5-triazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxide

CAS: 60028-31-1

Molecular Formula	`C5H9N3O4S2`
Molecular Weight	239.3 g/mol
LogP	-1.7
Topological Polar Surface Area	94.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	0
Exact Mass	239.00345
Heavy Atoms	14
Complexity	450.0

Chemical Identifiers

CAS Number	60028-31-1
SMILES	`C1C2CN3CN(S2(=O)=O)CN1S3(=O)=O`
InChIKey	`MRMOEWPKPSKSDA-UHFFFAOYSA-N`

📖 Product Overview

Compound C5H9N3O4S2 (CAS: 60028-31-1) is a chemical compound with molecular formula C5H9N3O4S2 and molecular weight 239.3 g/mol. Its IUPAC systematic name is 2lambda6,6lambda6-dithia-1,3,5-triazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxide. LogP -1.7 Topological Polar Surface Area 94.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 0 Exact Mass 239.00345 Heavy Atoms 14 Complexity 450.0 InChI Key: MRMOEWPKPSKSDA-UHFFFAOYSA-N. SMILES: C1C2CN3CN(S2(=O)=O)CN1S3(=O)=O.

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