2-amino-3,4,5-triethylbenzenethiol

C12H19NS — CID 134347256

IUPAC2-amino-3,4,5-triethylbenzenethiol
SMILESCCc1cc(S)c(N)c(CC)c1CC
InChIInChI=1S/C12H19NS/c1-4-8-7-11(14)12(13)10(6-3)9(8)5-2/h7,14H,4-6,13H2,1-3H3
InChIKeyVRMRPRPUALJQJA-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.24
Rot. Bonds3

About 2-amino-3,4,5-triethylbenzenethiol

2-amino-3,4,5-triethylbenzenethiol (PubChem CID 134347256) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-amino-3,4,5-triethylbenzenethiol.

Molecular Properties

Compound Name2-amino-3,4,5-triethylbenzenethiol
PubChem CID134347256
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-amino-3,4,5-triethylbenzenethiol
SMILESCCc1cc(S)c(N)c(CC)c1CC
InChIInChI=1S/C12H19NS/c1-4-8-7-11(14)12(13)10(6-3)9(8)5-2/h7,14H,4-6,13H2,1-3H3
InChIKeyVRMRPRPUALJQJA-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-3,5-diethylbenzenethiol
CID 150249754
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
2,3,6-triethylaniline
CID 21412862
2-amino-5-bromo-3-ethylbenzenethiol
CID 81291404
(2,3,4,5-tetraethylphenyl)methanamine;hydrochloride
CID 173013560
5-amino-2-ethylbenzenethiol
CID 13245129
3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 150498422
2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
CID 150696668
2,6-diethylbenzene-1,4-diamine
CID 10154207
azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine
CID 173322817
tetrakis(1,2,3,4-tetraethyl-5-methanidylbenzene);titanium(4+)
CID 173443489
2-amino-3-ethyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzenethiol
CID 152616841

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5-triethylbenzenethiol?
The IUPAC name of 2-amino-3,4,5-triethylbenzenethiol (CID 134347256) is 2-amino-3,4,5-triethylbenzenethiol.
What is the SMILES notation for 2-amino-3,4,5-triethylbenzenethiol?
The canonical SMILES for 2-amino-3,4,5-triethylbenzenethiol is CCc1cc(S)c(N)c(CC)c1CC.
What is the InChIKey of 2-amino-3,4,5-triethylbenzenethiol?
The InChIKey is VRMRPRPUALJQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-8-7-11(14)12(13)10(6-3)9(8)5-2/h7,14H,4-6,13H2,1-3H3.
What are the key properties of 2-amino-3,4,5-triethylbenzenethiol?
2-amino-3,4,5-triethylbenzenethiol has a molecular weight of 209.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,5-triethylbenzenethiol is sourced from PubChem (CID 134347256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).