naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate

C14H15NS2 — CID 10759699

IUPACnaphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate
SMILES[H]/N=C(\CSC)SCc1ccc2ccccc2c1
InChIInChI=1S/C14H15NS2/c1-16-10-14(15)17-9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,15H,9-10H2,1H3/b15-14+
InChIKeyMOPFTDFUSSBGMU-CCEZHUSRSA-N
MW261.41 g/mol
LogP4.41
Rot. Bonds4

About naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate

naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate (PubChem CID 10759699) has the molecular formula C14H15NS2 and a molecular weight of 261.41 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate
PubChem CID10759699
Molecular FormulaC14H15NS2
Molecular Weight261.41 g/mol
Exact Mass261.06
IUPAC Namenaphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate
SMILES[H]/N=C(\CSC)SCc1ccc2ccccc2c1
InChIInChI=1S/C14H15NS2/c1-16-10-14(15)17-9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,15H,9-10H2,1H3/b15-14+
InChIKeyMOPFTDFUSSBGMU-CCEZHUSRSA-N
XLogP4.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.41
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

CID 13839210
CID 13839210
CID 458388
CID 458388
CID 303758
CID 303758
CID 13449802
CID 13449802
CID 3428135
CID 3428135
CID 460642
CID 460642
CID 13244268
CID 13244268
CID 291202
CID 291202
CID 598856
CID 598856
CID 608463
CID 608463
CID 816756
CID 816756
CID 7099152
CID 7099152

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate?
The IUPAC name of naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate (CID 10759699) is naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate.
What is the SMILES notation for naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate?
The canonical SMILES for naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate is [H]/N=C(\CSC)SCc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate?
The InChIKey is MOPFTDFUSSBGMU-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H15NS2/c1-16-10-14(15)17-9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,15H,9-10H2,1H3/b15-14+.
What are the key properties of naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate?
naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate has a molecular weight of 261.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 2-methylsulfanylethanimidothioate is sourced from PubChem (CID 10759699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).