N-[(2,4-dichlorophenyl)methyl]methanethioamide

C8H7Cl2NS — CID 58279654

IUPACN-[(2,4-dichlorophenyl)methyl]methanethioamide
SMILESS=CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NS/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3,5H,4H2,(H,11,12)
InChIKeyZBWHVEGXMFXBPW-UHFFFAOYSA-N
MW220.12 g/mol
LogP3.04
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]methanethioamide

N-[(2,4-dichlorophenyl)methyl]methanethioamide (PubChem CID 58279654) has the molecular formula C8H7Cl2NS and a molecular weight of 220.12 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]methanethioamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]methanethioamide
PubChem CID58279654
Molecular FormulaC8H7Cl2NS
Molecular Weight220.12 g/mol
Exact Mass218.97
IUPAC NameN-[(2,4-dichlorophenyl)methyl]methanethioamide
SMILESS=CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NS/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3,5H,4H2,(H,11,12)
InChIKeyZBWHVEGXMFXBPW-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)ethanethial
CID 87622266
N-[(2,4-dichlorophenyl)methyl]thietan-3-amine
CID 130679532
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
(2,4-dichlorophenyl)methylthiourea;hydrochloride
CID 46736571
N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
CID 88713574
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]methanethioamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]methanethioamide (CID 58279654) is N-[(2,4-dichlorophenyl)methyl]methanethioamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]methanethioamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]methanethioamide is S=CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]methanethioamide?
The InChIKey is ZBWHVEGXMFXBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NS/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3,5H,4H2,(H,11,12).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]methanethioamide?
N-[(2,4-dichlorophenyl)methyl]methanethioamide has a molecular weight of 220.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]methanethioamide is sourced from PubChem (CID 58279654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).