dimethylamino(naphthalen-2-yl)methanethiol

C13H15NS — CID 116909499

IUPACdimethylamino(naphthalen-2-yl)methanethiol
SMILESCN(C)C(S)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NS/c1-14(2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13,15H,1-2H3
InChIKeyZWJVVSMHNUWPKB-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.33
Rot. Bonds2

About dimethylamino(naphthalen-2-yl)methanethiol

dimethylamino(naphthalen-2-yl)methanethiol (PubChem CID 116909499) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is dimethylamino(naphthalen-2-yl)methanethiol.

Molecular Properties

Compound Namedimethylamino(naphthalen-2-yl)methanethiol
PubChem CID116909499
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Namedimethylamino(naphthalen-2-yl)methanethiol
SMILESCN(C)C(S)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NS/c1-14(2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13,15H,1-2H3
InChIKeyZWJVVSMHNUWPKB-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-ylethanethiol
CID 11672816
amino(naphthalen-2-yl)methanethiol
CID 116939563
2-(dimethylamino)-2-naphthalen-2-ylacetaldehyde
CID 116908733
ethane;2-propan-2-ylnaphthalene
CID 142226111
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
N-chloro-N-methyl-1-naphthalen-2-ylethanamine
CID 135010068
2-propan-2-ylpentacene
CID 153380535
1-naphthalen-2-ylethanamine
CID 3857145
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
naphthalen-2-ylmethanediol
CID 22496827

Frequently Asked Questions

What is the IUPAC name of dimethylamino(naphthalen-2-yl)methanethiol?
The IUPAC name of dimethylamino(naphthalen-2-yl)methanethiol (CID 116909499) is dimethylamino(naphthalen-2-yl)methanethiol.
What is the SMILES notation for dimethylamino(naphthalen-2-yl)methanethiol?
The canonical SMILES for dimethylamino(naphthalen-2-yl)methanethiol is CN(C)C(S)c1ccc2ccccc2c1.
What is the InChIKey of dimethylamino(naphthalen-2-yl)methanethiol?
The InChIKey is ZWJVVSMHNUWPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-14(2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13,15H,1-2H3.
What are the key properties of dimethylamino(naphthalen-2-yl)methanethiol?
dimethylamino(naphthalen-2-yl)methanethiol has a molecular weight of 217.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(naphthalen-2-yl)methanethiol is sourced from PubChem (CID 116909499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).