amino(naphthalen-2-yl)methanethiol

C11H11NS — CID 116939563

IUPACamino(naphthalen-2-yl)methanethiol
SMILESNC(S)c1ccc2ccccc2c1
InChIInChI=1S/C11H11NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,13H,12H2
InChIKeyNEYSCMXWETZHLJ-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.73
Rot. Bonds1

About amino(naphthalen-2-yl)methanethiol

amino(naphthalen-2-yl)methanethiol (PubChem CID 116939563) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is amino(naphthalen-2-yl)methanethiol.

Molecular Properties

Compound Nameamino(naphthalen-2-yl)methanethiol
PubChem CID116939563
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Nameamino(naphthalen-2-yl)methanethiol
SMILESNC(S)c1ccc2ccccc2c1
InChIInChI=1S/C11H11NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,13H,12H2
InChIKeyNEYSCMXWETZHLJ-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
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

(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
amino(naphthalen-2-yl)methanol
CID 57110079
3-naphthalen-2-ylbutan-2-amine
CID 66436107
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
dimethylamino(naphthalen-2-yl)methanethiol
CID 116909499
ethane;2-propan-2-ylnaphthalene
CID 142226111
naphthalen-2-ylmethanediol
CID 22496827
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547

Frequently Asked Questions

What is the IUPAC name of amino(naphthalen-2-yl)methanethiol?
The IUPAC name of amino(naphthalen-2-yl)methanethiol (CID 116939563) is amino(naphthalen-2-yl)methanethiol.
What is the SMILES notation for amino(naphthalen-2-yl)methanethiol?
The canonical SMILES for amino(naphthalen-2-yl)methanethiol is NC(S)c1ccc2ccccc2c1.
What is the InChIKey of amino(naphthalen-2-yl)methanethiol?
The InChIKey is NEYSCMXWETZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,13H,12H2.
What are the key properties of amino(naphthalen-2-yl)methanethiol?
amino(naphthalen-2-yl)methanethiol has a molecular weight of 189.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(naphthalen-2-yl)methanethiol is sourced from PubChem (CID 116939563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).