[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane

C10H10F2N2OS2 — CID 59141937

IUPAC[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane
SMILESCS(C)=Nc1nsc2cccc(OC(F)F)c12
InChIInChI=1S/C10H10F2N2OS2/c1-17(2)14-9-8-6(15-10(11)12)4-3-5-7(8)16-13-9/h3-5,10H,1-2H3
InChIKeyLXKNRXURSQMDQK-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.59
Rot. Bonds3

About [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane

[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane (PubChem CID 59141937) has the molecular formula C10H10F2N2OS2 and a molecular weight of 276.33 g/mol. Its IUPAC name is [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane
PubChem CID59141937
Molecular FormulaC10H10F2N2OS2
Molecular Weight276.33 g/mol
Exact Mass276.02
IUPAC Name[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane
SMILESCS(C)=Nc1nsc2cccc(OC(F)F)c12
InChIInChI=1S/C10H10F2N2OS2/c1-17(2)14-9-8-6(15-10(11)12)4-3-5-7(8)16-13-9/h3-5,10H,1-2H3
InChIKeyLXKNRXURSQMDQK-UHFFFAOYSA-N
XLogP3.59
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-1,2-benzothiazol-3-one
CID 57425210
N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine
CID 71161720
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
N-[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59141852
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
8-(difluoromethoxy)isoquinolin-1-amine
CID 154728176
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole
CID 118817486
8-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118824832
1-(difluoromethoxy)-6,7-dimethylnaphthalene
CID 56838953
4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
CID 118807347
1,3,5-trichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622379

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane?
The IUPAC name of [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane (CID 59141937) is [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane.
What is the SMILES notation for [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane?
The canonical SMILES for [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane is CS(C)=Nc1nsc2cccc(OC(F)F)c12.
What is the InChIKey of [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane?
The InChIKey is LXKNRXURSQMDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2OS2/c1-17(2)14-9-8-6(15-10(11)12)4-3-5-7(8)16-13-9/h3-5,10H,1-2H3.
What are the key properties of [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane?
[4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane has a molecular weight of 276.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-λ4-sulfane is sourced from PubChem (CID 59141937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).