methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate

C9H10FN3S — CID 6850944

IUPACmethyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate
SMILESCSC(N)=N/N=C\c1ccccc1F
InChIInChI=1S/C9H10FN3S/c1-14-9(11)13-12-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H2,11,13)/b12-6-
InChIKeyGOCLZQPWZWAKOE-SDQBBNPISA-N
MW211.27 g/mol
LogP1.84
Rot. Bonds2

About methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate

methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate (PubChem CID 6850944) has the molecular formula C9H10FN3S and a molecular weight of 211.27 g/mol. Its IUPAC name is methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate
PubChem CID6850944
Molecular FormulaC9H10FN3S
Molecular Weight211.27 g/mol
Exact Mass211.06
IUPAC Namemethyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate
SMILESCSC(N)=N/N=C\c1ccccc1F
InChIInChI=1S/C9H10FN3S/c1-14-9(11)13-12-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H2,11,13)/b12-6-
InChIKeyGOCLZQPWZWAKOE-SDQBBNPISA-N
XLogP1.84
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]carbamimidothioate
CID 110510355
1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
CID 5114964
methyl N'-[(2,5-dihydroxyphenyl)methylideneamino]carbamimidothioate
CID 137207506
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
(4-methyl-1,3,2-dioxaborinan-2-yl) N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate
CID 10851367
methyl N'-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]carbamimidothioate
CID 136787213
methyl N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamimidothioate
CID 171131364
methyl N'-[(Z)-(3-methylphenyl)methylideneamino]carbamimidothioate
CID 110510414
2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
CID 135545744
methyl N'-[(E)-(3-chlorophenyl)methylideneamino]carbamimidothioate
CID 11821033
methyl N'-[(Z)-(3-chlorophenyl)methylideneamino]carbamimidothioate
CID 6480327
methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
CID 6850946

Frequently Asked Questions

What is the IUPAC name of methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate?
The IUPAC name of methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate (CID 6850944) is methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate.
What is the SMILES notation for methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate?
The canonical SMILES for methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate is CSC(N)=N/N=C\c1ccccc1F.
What is the InChIKey of methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate?
The InChIKey is GOCLZQPWZWAKOE-SDQBBNPISA-N. The full InChI is InChI=1S/C9H10FN3S/c1-14-9(11)13-12-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H2,11,13)/b12-6-.
What are the key properties of methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate?
methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate has a molecular weight of 211.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate is sourced from PubChem (CID 6850944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).