(naphthalen-2-ylmethylamino)methanethiol

C12H13NS — CID 115228012

IUPAC(naphthalen-2-ylmethylamino)methanethiol
SMILESSCNCc1ccc2ccccc2c1
InChIInChI=1S/C12H13NS/c14-9-13-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9H2
InChIKeyYWBFUIMJKBWFLW-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.82
Rot. Bonds3

About (naphthalen-2-ylmethylamino)methanethiol

(naphthalen-2-ylmethylamino)methanethiol (PubChem CID 115228012) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is (naphthalen-2-ylmethylamino)methanethiol.

Molecular Properties

Compound Name(naphthalen-2-ylmethylamino)methanethiol
PubChem CID115228012
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name(naphthalen-2-ylmethylamino)methanethiol
SMILESSCNCc1ccc2ccccc2c1
InChIInChI=1S/C12H13NS/c14-9-13-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9H2
InChIKeyYWBFUIMJKBWFLW-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.82
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

N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
N-(hydrazinylmethyl)-1-naphthalen-2-ylmethanamine
CID 115260879
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
(benzylamino)methanethiol
CID 88942779
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
N-(naphthalen-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351410
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
CID 115632533
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
pentacen-2-ylmethanethiol
CID 59381280

Frequently Asked Questions

What is the IUPAC name of (naphthalen-2-ylmethylamino)methanethiol?
The IUPAC name of (naphthalen-2-ylmethylamino)methanethiol (CID 115228012) is (naphthalen-2-ylmethylamino)methanethiol.
What is the SMILES notation for (naphthalen-2-ylmethylamino)methanethiol?
The canonical SMILES for (naphthalen-2-ylmethylamino)methanethiol is SCNCc1ccc2ccccc2c1.
What is the InChIKey of (naphthalen-2-ylmethylamino)methanethiol?
The InChIKey is YWBFUIMJKBWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c14-9-13-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9H2.
What are the key properties of (naphthalen-2-ylmethylamino)methanethiol?
(naphthalen-2-ylmethylamino)methanethiol has a molecular weight of 203.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (naphthalen-2-ylmethylamino)methanethiol is sourced from PubChem (CID 115228012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).