methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate

C13H17NS — CID 116827968

IUPACmethyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate
SMILESC/N=C(\SC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17NS/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,3-6H2,1-2H3/b14-13-
InChIKeyCZHQOPCSLFVBQU-YPKPFQOOSA-N
MW219.35 g/mol
LogP3.30
Rot. Bonds1

About methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate

methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate (PubChem CID 116827968) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate.

Molecular Properties

Compound Namemethyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate
PubChem CID116827968
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Namemethyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate
SMILESC/N=C(\SC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17NS/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,3-6H2,1-2H3/b14-13-
InChIKeyCZHQOPCSLFVBQU-YPKPFQOOSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate?
The IUPAC name of methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate (CID 116827968) is methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate.
What is the SMILES notation for methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate?
The canonical SMILES for methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate is C/N=C(\SC)c1ccc2c(c1)CCCC2.
What is the InChIKey of methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate?
The InChIKey is CZHQOPCSLFVBQU-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H17NS/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,3-6H2,1-2H3/b14-13-.
What are the key properties of methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate?
methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate has a molecular weight of 219.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate is sourced from PubChem (CID 116827968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).