(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate

C15H14Cl2N2OS — CID 8776421

IUPAC(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
SMILESCOc1cccc(/N=C(\N)SCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c1-20-11-5-2-4-10(8-11)19-15(18)21-9-12-13(16)6-3-7-14(12)17/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyGMFBSKKVNSXZPH-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.88
Rot. Bonds4

About (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate

(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate (PubChem CID 8776421) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
PubChem CID8776421
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
SMILESCOc1cccc(/N=C(\N)SCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2N2OS/c1-20-11-5-2-4-10(8-11)19-15(18)21-9-12-13(16)6-3-7-14(12)17/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyGMFBSKKVNSXZPH-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-chloro-6-fluorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776419
2-(4-fluorophenoxy)ethyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776447
(7-ethyl-2-oxochromen-4-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776428
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
(2,6-dichlorophenyl)methyl N'-butylcarbamimidothioate
CID 8776217
(4-tert-butyl-2,6-dimethylphenyl)methyl N'-(3-methylphenyl)carbamimidothioate
CID 8776569
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874
[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
CID 3733113
2-(4-chlorophenoxy)ethyl N'-(3-methylphenyl)carbamimidothioate
CID 8776546
4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
CID 525574
(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776469
N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide
CID 11034476

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
The IUPAC name of (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate (CID 8776421) is (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
The canonical SMILES for (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate is COc1cccc(/N=C(\N)SCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
The InChIKey is GMFBSKKVNSXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-20-11-5-2-4-10(8-11)19-15(18)21-9-12-13(16)6-3-7-14(12)17/h2-8H,9H2,1H3,(H2,18,19).
What are the key properties of (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate?
(2,6-dichlorophenyl)methyl N'-(3-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 (2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate is sourced from PubChem (CID 8776421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).