N-(2,3,5-trifluorophenyl)carbamothioyl chloride

C7H3ClF3NS — CID 135379068

IUPACN-(2,3,5-trifluorophenyl)carbamothioyl chloride
SMILESFc1cc(F)c(F)c(NC(=S)Cl)c1
InChIInChI=1S/C7H3ClF3NS/c8-7(13)12-5-2-3(9)1-4(10)6(5)11/h1-2H,(H,12,13)
InChIKeyQGNFNLJRTUKMKA-UHFFFAOYSA-N
MW225.62 g/mol
LogP3.04
Rot. Bonds1

About N-(2,3,5-trifluorophenyl)carbamothioyl chloride

N-(2,3,5-trifluorophenyl)carbamothioyl chloride (PubChem CID 135379068) has the molecular formula C7H3ClF3NS and a molecular weight of 225.62 g/mol. Its IUPAC name is N-(2,3,5-trifluorophenyl)carbamothioyl chloride.

Molecular Properties

Compound NameN-(2,3,5-trifluorophenyl)carbamothioyl chloride
PubChem CID135379068
Molecular FormulaC7H3ClF3NS
Molecular Weight225.62 g/mol
Exact Mass224.96
IUPAC NameN-(2,3,5-trifluorophenyl)carbamothioyl chloride
SMILESFc1cc(F)c(F)c(NC(=S)Cl)c1
InChIInChI=1S/C7H3ClF3NS/c8-7(13)12-5-2-3(9)1-4(10)6(5)11/h1-2H,(H,12,13)
InChIKeyQGNFNLJRTUKMKA-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,5,6-tetrafluorophenyl)carbamothioyl chloride
CID 135378873
3-amino-3-sulfanylidene-N-(2,3,5-trifluorophenyl)propanamide
CID 62814231
2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
CID 62814110
3,5-dihydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 107703907
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
4-chloro-2-(2,3,5-trifluoroanilino)benzenecarbothioamide
CID 63093682
2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline
CID 22348698
1-[(3-methyloxetan-3-yl)methyl]-3-(2,3,5-trifluorophenyl)urea
CID 72859620
4-carbamothioyl-N-(2,3,5-trifluorophenyl)oxane-4-carboxamide
CID 62811831
1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid
CID 174887375
(3,5-difluoro-2-methylphenyl)thiourea
CID 169359533
2-(2,3,5-trifluoroanilino)benzenecarbothioamide
CID 55119267

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5-trifluorophenyl)carbamothioyl chloride?
The IUPAC name of N-(2,3,5-trifluorophenyl)carbamothioyl chloride (CID 135379068) is N-(2,3,5-trifluorophenyl)carbamothioyl chloride.
What is the SMILES notation for N-(2,3,5-trifluorophenyl)carbamothioyl chloride?
The canonical SMILES for N-(2,3,5-trifluorophenyl)carbamothioyl chloride is Fc1cc(F)c(F)c(NC(=S)Cl)c1.
What is the InChIKey of N-(2,3,5-trifluorophenyl)carbamothioyl chloride?
The InChIKey is QGNFNLJRTUKMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NS/c8-7(13)12-5-2-3(9)1-4(10)6(5)11/h1-2H,(H,12,13).
What are the key properties of N-(2,3,5-trifluorophenyl)carbamothioyl chloride?
N-(2,3,5-trifluorophenyl)carbamothioyl chloride has a molecular weight of 225.62 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5-trifluorophenyl)carbamothioyl chloride is sourced from PubChem (CID 135379068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).