5-chloro-2-fluoro-3-methylsulfanylaniline

C7H7ClFNS — CID 83410374

IUPAC5-chloro-2-fluoro-3-methylsulfanylaniline
SMILESCSc1cc(Cl)cc(N)c1F
InChIInChI=1S/C7H7ClFNS/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3H,10H2,1H3
InChIKeyVVHDOGQRGCIWKS-UHFFFAOYSA-N
MW191.66 g/mol
LogP2.78
Rot. Bonds1

About 5-chloro-2-fluoro-3-methylsulfanylaniline

5-chloro-2-fluoro-3-methylsulfanylaniline (PubChem CID 83410374) has the molecular formula C7H7ClFNS and a molecular weight of 191.66 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-methylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-methylsulfanylaniline
PubChem CID83410374
Molecular FormulaC7H7ClFNS
Molecular Weight191.66 g/mol
Exact Mass191.00
IUPAC Name5-chloro-2-fluoro-3-methylsulfanylaniline
SMILESCSc1cc(Cl)cc(N)c1F
InChIInChI=1S/C7H7ClFNS/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3H,10H2,1H3
InChIKeyVVHDOGQRGCIWKS-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
methyl 5-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164892417
5-chloro-3-fluoro-2-methylaniline
CID 18727792
5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 57416219
2,5-dichloro-1-(difluoromethoxy)-3-methylsulfanylbenzene
CID 119005912
6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine
CID 30029869
(3-amino-5-chloro-2-fluorophenyl) carbamate
CID 174670432
2-(3-amino-5-chloro-2-fluorophenyl)acetonitrile
CID 131518600
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
4-amino-3-fluoro-2-methyl-6-methylsulfanylbenzaldehyde
CID 170421497
3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103052135
2-[bis(methylsulfanyl)methyl]-5-chloroaniline
CID 13465657

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-methylsulfanylaniline?
The IUPAC name of 5-chloro-2-fluoro-3-methylsulfanylaniline (CID 83410374) is 5-chloro-2-fluoro-3-methylsulfanylaniline.
What is the SMILES notation for 5-chloro-2-fluoro-3-methylsulfanylaniline?
The canonical SMILES for 5-chloro-2-fluoro-3-methylsulfanylaniline is CSc1cc(Cl)cc(N)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-methylsulfanylaniline?
The InChIKey is VVHDOGQRGCIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNS/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3H,10H2,1H3.
What are the key properties of 5-chloro-2-fluoro-3-methylsulfanylaniline?
5-chloro-2-fluoro-3-methylsulfanylaniline has a molecular weight of 191.66 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-methylsulfanylaniline is sourced from PubChem (CID 83410374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).