(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate

C15H14Cl2N2OS — CID 8776469

IUPAC(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
SMILESCOc1ccccc1/N=C(\N)SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-20-14-5-3-2-4-13(14)19-15(18)21-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyGDNYWSBYHPXOJI-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.88
Rot. Bonds4

About (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate

(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate (PubChem CID 8776469) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
PubChem CID8776469
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
SMILESCOc1ccccc1/N=C(\N)SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-20-14-5-3-2-4-13(14)19-15(18)21-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyGDNYWSBYHPXOJI-UHFFFAOYSA-N
XLogP4.88
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.88
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'}

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Related Compounds

(2-methylphenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776504
(2-bromophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776508
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate
CID 2922489
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
(4,5-dimethoxy-2-methylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate
CID 8775208
2-(3-methylphenoxy)ethyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776496
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 4819025
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
N'-(5-chloro-2-methoxyphenyl)propanimidamide
CID 63178327

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate?
The IUPAC name of (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate (CID 8776469) is (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate is COc1ccccc1/N=C(\N)SCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate?
The InChIKey is GDNYWSBYHPXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-20-14-5-3-2-4-13(14)19-15(18)21-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H2,18,19).
What are the key properties of (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate?
(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate has a molecular weight of 341.26 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate is sourced from PubChem (CID 8776469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).