2-(ethylamino)-4-(methylamino)benzenethiol

C9H14N2S — CID 142272173

IUPAC2-(ethylamino)-4-(methylamino)benzenethiol
SMILESCCNc1cc(NC)ccc1S
InChIInChI=1S/C9H14N2S/c1-3-11-8-6-7(10-2)4-5-9(8)12/h4-6,10-12H,3H2,1-2H3
InChIKeyRPTFTGMJUHFQIM-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.45
Rot. Bonds3

About 2-(ethylamino)-4-(methylamino)benzenethiol

2-(ethylamino)-4-(methylamino)benzenethiol (PubChem CID 142272173) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(ethylamino)-4-(methylamino)benzenethiol.

Molecular Properties

Compound Name2-(ethylamino)-4-(methylamino)benzenethiol
PubChem CID142272173
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-(ethylamino)-4-(methylamino)benzenethiol
SMILESCCNc1cc(NC)ccc1S
InChIInChI=1S/C9H14N2S/c1-3-11-8-6-7(10-2)4-5-9(8)12/h4-6,10-12H,3H2,1-2H3
InChIKeyRPTFTGMJUHFQIM-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(methylamino)benzenethiol;ethane
CID 142272168
1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 18957572
1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine
CID 143022149
3-(ethylamino)-4-fluorobenzenethiol
CID 135220038
[2-fluoro-4-(methylamino)phenyl]methanethiol
CID 176555737
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
ethane;2-(ethylamino)-4-phenylbenzenethiol;2-[2-(2-methylphenyl)ethylamino]-4-phenylbenzenethiol;1,2-xylene
CID 145064360
3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine
CID 166929518
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(methylamino)benzenethiol?
The IUPAC name of 2-(ethylamino)-4-(methylamino)benzenethiol (CID 142272173) is 2-(ethylamino)-4-(methylamino)benzenethiol.
What is the SMILES notation for 2-(ethylamino)-4-(methylamino)benzenethiol?
The canonical SMILES for 2-(ethylamino)-4-(methylamino)benzenethiol is CCNc1cc(NC)ccc1S.
What is the InChIKey of 2-(ethylamino)-4-(methylamino)benzenethiol?
The InChIKey is RPTFTGMJUHFQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-11-8-6-7(10-2)4-5-9(8)12/h4-6,10-12H,3H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(methylamino)benzenethiol?
2-(ethylamino)-4-(methylamino)benzenethiol has a molecular weight of 182.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(methylamino)benzenethiol is sourced from PubChem (CID 142272173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).