5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid

C12H14ClN3O5S2 — CID 21144948

IUPAC5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(/N=c2/nc(N3CCOCC3)ss2)cc1
InChIInChI=1S/C12H13N3OS2.ClHO4/c1-2-4-10(5-3-1)13-11-14-12(18-17-11)15-6-8-16-9-7-15;2-1(3,4)5/h1-5H,6-9H2;(H,2,3,4,5)/b13-11-;
InChIKeyKRWOAAOUYOGKCN-KEHAOADBSA-N
MW379.85 g/mol
LogP-1.85
Rot. Bonds2

About 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid

5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid (PubChem CID 21144948) has the molecular formula C12H14ClN3O5S2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid.

Molecular Properties

Compound Name5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid
PubChem CID21144948
Molecular FormulaC12H14ClN3O5S2
Molecular Weight379.85 g/mol
Exact Mass379.01
IUPAC Name5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(/N=c2/nc(N3CCOCC3)ss2)cc1
InChIInChI=1S/C12H13N3OS2.ClHO4/c1-2-4-10(5-3-1)13-11-14-12(18-17-11)15-6-8-16-9-7-15;2-1(3,4)5/h1-5H,6-9H2;(H,2,3,4,5)/b13-11-;
InChIKeyKRWOAAOUYOGKCN-KEHAOADBSA-N
XLogP-1.85
TPSA127.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid?
The IUPAC name of 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid (CID 21144948) is 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid.
What is the SMILES notation for 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid?
The canonical SMILES for 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid is [O-][Cl+3]([O-])([O-])O.c1ccc(/N=c2/nc(N3CCOCC3)ss2)cc1.
What is the InChIKey of 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid?
The InChIKey is KRWOAAOUYOGKCN-KEHAOADBSA-N. The full InChI is InChI=1S/C12H13N3OS2.ClHO4/c1-2-4-10(5-3-1)13-11-14-12(18-17-11)15-6-8-16-9-7-15;2-1(3,4)5/h1-5H,6-9H2;(H,2,3,4,5)/b13-11-;.
What are the key properties of 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid?
5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid has a molecular weight of 379.85 g/mol, XLogP of -1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-phenyl-1,2,4-dithiazol-3-imine;perchloric acid is sourced from PubChem (CID 21144948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).