aniline;sulfane;hydrofluoride

C6H10FNS — CID 174744569

IUPACaniline;sulfane;hydrofluoride
SMILESF.Nc1ccccc1.S
InChIInChI=1S/C6H7N.FH.H2S/c7-6-4-2-1-3-5-6;;/h1-5H,7H2;1H;1H2
InChIKeyOMVAWJQDESUMIT-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.53
Rot. Bonds

About aniline;sulfane;hydrofluoride

aniline;sulfane;hydrofluoride (PubChem CID 174744569) has the molecular formula C6H10FNS and a molecular weight of 147.22 g/mol. Its IUPAC name is aniline;sulfane;hydrofluoride.

Molecular Properties

Compound Nameaniline;sulfane;hydrofluoride
PubChem CID174744569
Molecular FormulaC6H10FNS
Molecular Weight147.22 g/mol
Exact Mass147.05
IUPAC Nameaniline;sulfane;hydrofluoride
SMILESF.Nc1ccccc1.S
InChIInChI=1S/C6H7N.FH.H2S/c7-6-4-2-1-3-5-6;;/h1-5H,7H2;1H;1H2
InChIKeyOMVAWJQDESUMIT-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 158400952
CID 158400952
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CID 54604260
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CID 171780637
aniline;niobium
CID 161015220
aniline;carbanide;hafnium
CID 158735732
magnesium;aniline;carbanide
CID 87207909
zinc;aniline;dichloride
CID 70636252
aniline;pentakis(oxygen(2-));bis(vanadium)
CID 173287766
sodium;aniline;hydride;dihydrate
CID 173275717
aniline;methanol
CID 140536335
aniline;cyclobutane
CID 174919664

Frequently Asked Questions

What is the IUPAC name of aniline;sulfane;hydrofluoride?
The IUPAC name of aniline;sulfane;hydrofluoride (CID 174744569) is aniline;sulfane;hydrofluoride.
What is the SMILES notation for aniline;sulfane;hydrofluoride?
The canonical SMILES for aniline;sulfane;hydrofluoride is F.Nc1ccccc1.S.
What is the InChIKey of aniline;sulfane;hydrofluoride?
The InChIKey is OMVAWJQDESUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.FH.H2S/c7-6-4-2-1-3-5-6;;/h1-5H,7H2;1H;1H2.
What are the key properties of aniline;sulfane;hydrofluoride?
aniline;sulfane;hydrofluoride has a molecular weight of 147.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;sulfane;hydrofluoride is sourced from PubChem (CID 174744569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).