6-bromo-3-chloro-2-fluorobenzenecarbothioamide

C7H4BrClFNS — CID 83409721

IUPAC6-bromo-3-chloro-2-fluorobenzenecarbothioamide
SMILESNC(=S)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H4BrClFNS/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)
InChIKeyPFORJMDERGLNTN-UHFFFAOYSA-N
MW268.54 g/mol
LogP2.88
Rot. Bonds1

About 6-bromo-3-chloro-2-fluorobenzenecarbothioamide

6-bromo-3-chloro-2-fluorobenzenecarbothioamide (PubChem CID 83409721) has the molecular formula C7H4BrClFNS and a molecular weight of 268.54 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name6-bromo-3-chloro-2-fluorobenzenecarbothioamide
PubChem CID83409721
Molecular FormulaC7H4BrClFNS
Molecular Weight268.54 g/mol
Exact Mass266.89
IUPAC Name6-bromo-3-chloro-2-fluorobenzenecarbothioamide
SMILESNC(=S)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H4BrClFNS/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)
InChIKeyPFORJMDERGLNTN-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
2-bromo-6-(3,5-dichloro-4-fluoroanilino)benzenecarbothioamide
CID 107574800
6-bromo-2-chloro-3-methoxybenzenecarbothioamide
CID 134589009
2-bromo-4-chloro-3-fluorobenzamide
CID 89499969
3-bromo-6-chloro-2-fluorophenol
CID 66601002
N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide
CID 62502117
3,6-dibromo-2-fluorobenzamide
CID 121228046
2-bromo-6-(3,4-dichlorophenoxy)benzenecarbothioamide
CID 114882922
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
2-bromo-6-(2,3-dichloroanilino)benzenecarbothioamide
CID 114881922

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-fluorobenzenecarbothioamide?
The IUPAC name of 6-bromo-3-chloro-2-fluorobenzenecarbothioamide (CID 83409721) is 6-bromo-3-chloro-2-fluorobenzenecarbothioamide.
What is the SMILES notation for 6-bromo-3-chloro-2-fluorobenzenecarbothioamide?
The canonical SMILES for 6-bromo-3-chloro-2-fluorobenzenecarbothioamide is NC(=S)c1c(Br)ccc(Cl)c1F.
What is the InChIKey of 6-bromo-3-chloro-2-fluorobenzenecarbothioamide?
The InChIKey is PFORJMDERGLNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNS/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12).
What are the key properties of 6-bromo-3-chloro-2-fluorobenzenecarbothioamide?
6-bromo-3-chloro-2-fluorobenzenecarbothioamide has a molecular weight of 268.54 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-fluorobenzenecarbothioamide is sourced from PubChem (CID 83409721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).