methyl 2-chloro-4-methoxybenzenecarboximidothioate

C9H10ClNOS — CID 116827909

IUPACmethyl 2-chloro-4-methoxybenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1ccc(OC)cc1Cl
InChIInChI=1S/C9H10ClNOS/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,11H,1-2H3/b11-9-
InChIKeyOZUHBASZXIOLAH-LUAWRHEFSA-N
MW215.71 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-chloro-4-methoxybenzenecarboximidothioate

methyl 2-chloro-4-methoxybenzenecarboximidothioate (PubChem CID 116827909) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is methyl 2-chloro-4-methoxybenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methoxybenzenecarboximidothioate
PubChem CID116827909
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Namemethyl 2-chloro-4-methoxybenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1ccc(OC)cc1Cl
InChIInChI=1S/C9H10ClNOS/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,11H,1-2H3/b11-9-
InChIKeyOZUHBASZXIOLAH-LUAWRHEFSA-N
XLogP3.04
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 53.04
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'}

Analyze methyl 2-chloro-4-methoxybenzenecarboximidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-chloro-5-methoxybenzenecarboximidothioate
CID 58503684
2-chloro-4-methoxy-N-methylbenzenecarbothioamide
CID 116827702
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
2-chloro-1-hydroxysulfanyl-4-methoxybenzene
CID 123526479
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
CID 43561630
2-chloro-1-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-4-methoxybenzene
CID 165362713
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
4-(2-chloro-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 77055038
2-chloro-4-methoxy-1-(methyldisulfanyl)benzene
CID 58500368
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-chloro-4-methoxy-1-methylbenzene
CID 6951757

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methoxybenzenecarboximidothioate?
The IUPAC name of methyl 2-chloro-4-methoxybenzenecarboximidothioate (CID 116827909) is methyl 2-chloro-4-methoxybenzenecarboximidothioate.
What is the SMILES notation for methyl 2-chloro-4-methoxybenzenecarboximidothioate?
The canonical SMILES for methyl 2-chloro-4-methoxybenzenecarboximidothioate is [H]/N=C(\SC)c1ccc(OC)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-methoxybenzenecarboximidothioate?
The InChIKey is OZUHBASZXIOLAH-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,11H,1-2H3/b11-9-.
What are the key properties of methyl 2-chloro-4-methoxybenzenecarboximidothioate?
methyl 2-chloro-4-methoxybenzenecarboximidothioate has a molecular weight of 215.71 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methoxybenzenecarboximidothioate is sourced from PubChem (CID 116827909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).