methyl 3-methoxy-5-methylbenzenecarboximidothioate

C10H13NOS — CID 58503772

IUPACmethyl 3-methoxy-5-methylbenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1cc(C)cc(OC)c1
InChIInChI=1S/C10H13NOS/c1-7-4-8(10(11)13-3)6-9(5-7)12-2/h4-6,11H,1-3H3/b11-10-
InChIKeyHSXZARZNZFYKKA-KHPPLWFESA-N
MW195.29 g/mol
LogP2.69
Rot. Bonds2

About methyl 3-methoxy-5-methylbenzenecarboximidothioate

methyl 3-methoxy-5-methylbenzenecarboximidothioate (PubChem CID 58503772) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is methyl 3-methoxy-5-methylbenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-methylbenzenecarboximidothioate
PubChem CID58503772
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namemethyl 3-methoxy-5-methylbenzenecarboximidothioate
SMILES[H]/N=C(\SC)c1cc(C)cc(OC)c1
InChIInChI=1S/C10H13NOS/c1-7-4-8(10(11)13-3)6-9(5-7)12-2/h4-6,11H,1-3H3/b11-10-
InChIKeyHSXZARZNZFYKKA-KHPPLWFESA-N
XLogP2.69
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.69
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

Benzyl 4-methoxybenzenecarboximidothioate
CID 12778968
2-(3,5-Dimethylphenoxy)ethyl thiocyanate
CID 11805901
1-Methoxy-3-(thiocyanatomethyl)benzene
CID 45040724
3-Methoxybenzyl methyl sulfide
CID 66920813
Methyl 5-fluoro-2-methoxybenzenecarboximidothioate
CID 17839874
Methyl 3-propan-2-yloxy-5-(trifluoromethyl)benzenecarboximidothioate
CID 66996486
3-Methoxy-5-(trifluoromethyl)benzenecarboximidoyl fluoride
CID 68247064
Methyl 3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)benzenecarboximidothioate
CID 70670169
Methyl 3-methoxy-5-(trifluoromethyl)benzenecarboximidothioate
CID 70670200
2-[[3-Methyl-5-(trifluoromethoxy)phenyl]methylsulfanyl]ethanamine
CID 90212820
1-[3-Methoxy-5-(trifluoromethyl)phenyl]ethanimine
CID 124191675
Methyl 4-(trifluoromethoxy)benzenecarboximidothioate;hydroiodide
CID 155753364

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-methylbenzenecarboximidothioate?
The IUPAC name of methyl 3-methoxy-5-methylbenzenecarboximidothioate (CID 58503772) is methyl 3-methoxy-5-methylbenzenecarboximidothioate.
What is the SMILES notation for methyl 3-methoxy-5-methylbenzenecarboximidothioate?
The canonical SMILES for methyl 3-methoxy-5-methylbenzenecarboximidothioate is [H]/N=C(\SC)c1cc(C)cc(OC)c1.
What is the InChIKey of methyl 3-methoxy-5-methylbenzenecarboximidothioate?
The InChIKey is HSXZARZNZFYKKA-KHPPLWFESA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-4-8(10(11)13-3)6-9(5-7)12-2/h4-6,11H,1-3H3/b11-10-.
What are the key properties of methyl 3-methoxy-5-methylbenzenecarboximidothioate?
methyl 3-methoxy-5-methylbenzenecarboximidothioate has a molecular weight of 195.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-methylbenzenecarboximidothioate is sourced from PubChem (CID 58503772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).