S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine

C14H12F2N2S2 — CID 143826111

IUPACS-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
SMILESNSc1ccccc1NS/C=C/c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2S2/c15-11-4-3-5-12(16)10(11)8-9-19-18-13-6-1-2-7-14(13)20-17/h1-9,18H,17H2/b9-8+
InChIKeyHKTIMTFBXZGEGW-CMDGGOBGSA-N
MW310.39 g/mol
LogP4.66
Rot. Bonds5

About S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine

S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine (PubChem CID 143826111) has the molecular formula C14H12F2N2S2 and a molecular weight of 310.39 g/mol. Its IUPAC name is S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
PubChem CID143826111
Molecular FormulaC14H12F2N2S2
Molecular Weight310.39 g/mol
Exact Mass310.04
IUPAC NameS-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
SMILESNSc1ccccc1NS/C=C/c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2S2/c15-11-4-3-5-12(16)10(11)8-9-19-18-13-6-1-2-7-14(13)20-17/h1-9,18H,17H2/b9-8+
InChIKeyHKTIMTFBXZGEGW-CMDGGOBGSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

S-(2-amino-3-fluorophenyl)thiohydroxylamine
CID 143826025
N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide
CID 102120376
2-(2-bromoethenyl)-1,3-difluorobenzene
CID 123354850
S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
CID 143826097
(E)-4-(2,6-difluorophenyl)but-3-en-2-amine
CID 103091649
(E)-3-(2,6-difluorophenyl)prop-2-enimidamide
CID 131242918
N-bromo-2-fluoroaniline
CID 53446576
(2-fluorophenyl) (1E)-N-aminomethanimidothioate
CID 176900648
(Z)-3-(2,6-difluorophenyl)prop-2-enal
CID 86308027
3-(2,2-difluoroethoxy)-4-[3-(2,6-difluorophenyl)prop-2-enoylamino]benzamide
CID 126805201
(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092570
2-(2-ethenyl-3-fluoroanilino)acetamide
CID 123710487

Frequently Asked Questions

What is the IUPAC name of S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
The IUPAC name of S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine (CID 143826111) is S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine.
What is the SMILES notation for S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
The canonical SMILES for S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine is NSc1ccccc1NS/C=C/c1c(F)cccc1F.
What is the InChIKey of S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
The InChIKey is HKTIMTFBXZGEGW-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12F2N2S2/c15-11-4-3-5-12(16)10(11)8-9-19-18-13-6-1-2-7-14(13)20-17/h1-9,18H,17H2/b9-8+.
What are the key properties of S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine has a molecular weight of 310.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[[(E)-2-(2,6-difluorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine is sourced from PubChem (CID 143826111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).