4-(diethylamino)benzenethiol

C10H15NS — CID 2758241

IUPAC4-(diethylamino)benzenethiol
SMILESCCN(CC)c1ccc(S)cc1
InChIInChI=1S/C10H15NS/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5-8,12H,3-4H2,1-2H3
InChIKeyWUBPBSLVSRGNFH-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.82
Rot. Bonds3

About 4-(diethylamino)benzenethiol

4-(diethylamino)benzenethiol (PubChem CID 2758241) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-(diethylamino)benzenethiol.

Molecular Properties

Compound Name4-(diethylamino)benzenethiol
PubChem CID2758241
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-(diethylamino)benzenethiol
SMILESCCN(CC)c1ccc(S)cc1
InChIInChI=1S/C10H15NS/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5-8,12H,3-4H2,1-2H3
InChIKeyWUBPBSLVSRGNFH-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-4-fluoroaniline
CID 592416
N,N-diethylaniline
CID 7061
4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline
CID 21439568
4-tert-butyl-N,N-diethylaniline
CID 10632068
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
CID 21439516
CID 21439516
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
N,N-diethylaniline;hydrazine
CID 161037544
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)benzenethiol?
The IUPAC name of 4-(diethylamino)benzenethiol (CID 2758241) is 4-(diethylamino)benzenethiol.
What is the SMILES notation for 4-(diethylamino)benzenethiol?
The canonical SMILES for 4-(diethylamino)benzenethiol is CCN(CC)c1ccc(S)cc1.
What is the InChIKey of 4-(diethylamino)benzenethiol?
The InChIKey is WUBPBSLVSRGNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 4-(diethylamino)benzenethiol?
4-(diethylamino)benzenethiol has a molecular weight of 181.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)benzenethiol is sourced from PubChem (CID 2758241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).