methyl 3-chloro-5-methoxybenzenecarboximidothioate

C9H10ClNOS — CID 58503684

IUPACmethyl 3-chloro-5-methoxybenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C9H10ClNOS/c1-12-8-4-6(9(11)13-2)3-7(10)5-8/h3-5,11H,1-2H3/b11-9-
InChIKeyFHJZLIAGCSLHPF-LUAWRHEFSA-N
MW215.71 g/mol
LogP3.04
Rot. Bonds2

About methyl 3-chloro-5-methoxybenzenecarboximidothioate

methyl 3-chloro-5-methoxybenzenecarboximidothioate (PubChem CID 58503684) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is methyl 3-chloro-5-methoxybenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl 3-chloro-5-methoxybenzenecarboximidothioate
PubChem CID58503684
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Namemethyl 3-chloro-5-methoxybenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1cc(Cl)cc(OC)c1
InChIInChI=1S/C9H10ClNOS/c1-12-8-4-6(9(11)13-2)3-7(10)5-8/h3-5,11H,1-2H3/b11-9-
InChIKeyFHJZLIAGCSLHPF-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'}

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Related Compounds

methyl 2-chloro-4-methoxybenzenecarboximidothioate
CID 116827909
methyl 3-chlorobenzenecarboximidothioate;hydroiodide
CID 134101984
magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
1-chloro-3-methoxy-5-methylsulfanylbenzene
CID 91881045
methyl 3-cyano-5-propan-2-yloxybenzenecarboximidothioate
CID 58503820
3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one
CID 134658373
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
2-[(3-chloro-5-methoxyphenyl)-methoxymethylidene]adamantane
CID 22948017
1-(3-chloro-5-methoxyphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
CID 68836656
methyl 3-bromo-5-chlorobenzenecarboximidate
CID 86222871
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
1-chloro-3-methoxy-5-methylselanylbenzene
CID 71747988

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-methoxybenzenecarboximidothioate?
The IUPAC name of methyl 3-chloro-5-methoxybenzenecarboximidothioate (CID 58503684) is methyl 3-chloro-5-methoxybenzenecarboximidothioate.
What is the SMILES notation for methyl 3-chloro-5-methoxybenzenecarboximidothioate?
The canonical SMILES for methyl 3-chloro-5-methoxybenzenecarboximidothioate is [H]/N=C(\SC)c1cc(Cl)cc(OC)c1.
What is the InChIKey of methyl 3-chloro-5-methoxybenzenecarboximidothioate?
The InChIKey is FHJZLIAGCSLHPF-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-12-8-4-6(9(11)13-2)3-7(10)5-8/h3-5,11H,1-2H3/b11-9-.
What are the key properties of methyl 3-chloro-5-methoxybenzenecarboximidothioate?
methyl 3-chloro-5-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 3-chloro-5-methoxybenzenecarboximidothioate is sourced from PubChem (CID 58503684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).