Compound C13H22N4O4S

1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfinyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

CAS: 73851-70-4

Molecular Formula	`C13H22N4O4S`
Molecular Weight	330.41 g/mol
LogP	0.2
Topological Polar Surface Area	123.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	330.13617
Heavy Atoms	22
Complexity	411.0

Chemical Identifiers

CAS Number	73851-70-4
SMILES	`CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C`
InChIKey	`SKHXRNHSZTXSLP-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H22N4O4S (CAS: 73851-70-4) is a chemical compound with molecular formula C13H22N4O4S and molecular weight 330.41 g/mol. Its IUPAC systematic name is 1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfinyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine. LogP 0.2 Topological Polar Surface Area 123.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 330.13617 Heavy Atoms 22 Complexity 411.0 InChI Key: SKHXRNHSZTXSLP-UHFFFAOYSA-N. SMILES: CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C.

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