N-(3,5-difluorophenyl)sulfanylmethanamine

C7H7F2NS — CID 143025103

IUPACN-(3,5-difluorophenyl)sulfanylmethanamine
SMILESCNSc1cc(F)cc(F)c1
InChIInChI=1S/C7H7F2NS/c1-10-11-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKeyLWMMQYOZEBDBJZ-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.19
Rot. Bonds2

About N-(3,5-difluorophenyl)sulfanylmethanamine

N-(3,5-difluorophenyl)sulfanylmethanamine (PubChem CID 143025103) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)sulfanylmethanamine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)sulfanylmethanamine
PubChem CID143025103
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC NameN-(3,5-difluorophenyl)sulfanylmethanamine
SMILESCNSc1cc(F)cc(F)c1
InChIInChI=1S/C7H7F2NS/c1-10-11-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKeyLWMMQYOZEBDBJZ-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-difluorophenyl)sulfanylformamide
CID 145089873
N-[3,5-bis(trifluoromethyl)phenyl]sulfanylmethanamine
CID 142229144
1-(disulfanyl)-3,5-difluorobenzene
CID 87425076
1-(3,5-difluorophenyl)sulfanyloxysulfanyl-3,5-difluorobenzene
CID 174687991
N-methyl-4-(methylaminosulfanyl)aniline
CID 142535026
1-(3-tert-butylsulfanyl-5-fluorophenyl)-N-methylmethanamine
CID 106533694
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene
CID 86694942
2-(3,5-difluorophenyl)sulfanylacetaldehyde
CID 91325383
1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine
CID 143484731
acetic acid;1,3,5-trifluorobenzene
CID 162178148
dichlorozinc;1,3-difluoro-5-methylbenzene
CID 174706993

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)sulfanylmethanamine?
The IUPAC name of N-(3,5-difluorophenyl)sulfanylmethanamine (CID 143025103) is N-(3,5-difluorophenyl)sulfanylmethanamine.
What is the SMILES notation for N-(3,5-difluorophenyl)sulfanylmethanamine?
The canonical SMILES for N-(3,5-difluorophenyl)sulfanylmethanamine is CNSc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)sulfanylmethanamine?
The InChIKey is LWMMQYOZEBDBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c1-10-11-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3.
What are the key properties of N-(3,5-difluorophenyl)sulfanylmethanamine?
N-(3,5-difluorophenyl)sulfanylmethanamine has a molecular weight of 175.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)sulfanylmethanamine is sourced from PubChem (CID 143025103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).