3-(dimethylamino)benzenethiol

C8H11NS — CID 2758523

IUPAC3-(dimethylamino)benzenethiol
SMILESCN(C)c1cccc(S)c1
InChIInChI=1S/C8H11NS/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
InChIKeyXYWGNQJVOOIWCL-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.04
Rot. Bonds1

About 3-(dimethylamino)benzenethiol

3-(dimethylamino)benzenethiol (PubChem CID 2758523) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-(dimethylamino)benzenethiol.

Molecular Properties

Compound Name3-(dimethylamino)benzenethiol
PubChem CID2758523
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-(dimethylamino)benzenethiol
SMILESCN(C)c1cccc(S)c1
InChIInChI=1S/C8H11NS/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
InChIKeyXYWGNQJVOOIWCL-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)benzenethiol?
The IUPAC name of 3-(dimethylamino)benzenethiol (CID 2758523) is 3-(dimethylamino)benzenethiol.
What is the SMILES notation for 3-(dimethylamino)benzenethiol?
The canonical SMILES for 3-(dimethylamino)benzenethiol is CN(C)c1cccc(S)c1.
What is the InChIKey of 3-(dimethylamino)benzenethiol?
The InChIKey is XYWGNQJVOOIWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3.
What are the key properties of 3-(dimethylamino)benzenethiol?
3-(dimethylamino)benzenethiol has a molecular weight of 153.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)benzenethiol is sourced from PubChem (CID 2758523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).