2,4-diamino-3,5-diethylbenzenethiol

C10H16N2S — CID 150249754

IUPAC2,4-diamino-3,5-diethylbenzenethiol
SMILESCCc1cc(S)c(N)c(CC)c1N
InChIInChI=1S/C10H16N2S/c1-3-6-5-8(13)10(12)7(4-2)9(6)11/h5,13H,3-4,11-12H2,1-2H3
InChIKeyFZHACMTXNKWJDT-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.26
Rot. Bonds2

About 2,4-diamino-3,5-diethylbenzenethiol

2,4-diamino-3,5-diethylbenzenethiol (PubChem CID 150249754) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2,4-diamino-3,5-diethylbenzenethiol.

Molecular Properties

Compound Name2,4-diamino-3,5-diethylbenzenethiol
PubChem CID150249754
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2,4-diamino-3,5-diethylbenzenethiol
SMILESCCc1cc(S)c(N)c(CC)c1N
InChIInChI=1S/C10H16N2S/c1-3-6-5-8(13)10(12)7(4-2)9(6)11/h5,13H,3-4,11-12H2,1-2H3
InChIKeyFZHACMTXNKWJDT-UHFFFAOYSA-N
XLogP2.26
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-3,4,5-triethylbenzenethiol
CID 134347256
2-amino-5-bromo-3-ethylbenzenethiol
CID 81291404
2,3,6-triethylaniline
CID 21412862
2,6-diethylbenzene-1,4-diamine
CID 10154207
3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 150498422
5-[bis(4-amino-3,5-diethylphenyl)methyl]-2,4,6-triethylbenzene-1,3-diamine
CID 87865367
azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine
CID 173322817
2-amino-3-ethyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzenethiol
CID 152616841
5-amino-2-ethylbenzenethiol
CID 13245129
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
4-chloro-2,6-diethylaniline
CID 14348967
4,6-diamino-5-ethyl-2-methylbenzene-1,3-dithiol
CID 123643667

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-3,5-diethylbenzenethiol?
The IUPAC name of 2,4-diamino-3,5-diethylbenzenethiol (CID 150249754) is 2,4-diamino-3,5-diethylbenzenethiol.
What is the SMILES notation for 2,4-diamino-3,5-diethylbenzenethiol?
The canonical SMILES for 2,4-diamino-3,5-diethylbenzenethiol is CCc1cc(S)c(N)c(CC)c1N.
What is the InChIKey of 2,4-diamino-3,5-diethylbenzenethiol?
The InChIKey is FZHACMTXNKWJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-6-5-8(13)10(12)7(4-2)9(6)11/h5,13H,3-4,11-12H2,1-2H3.
What are the key properties of 2,4-diamino-3,5-diethylbenzenethiol?
2,4-diamino-3,5-diethylbenzenethiol has a molecular weight of 196.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-3,5-diethylbenzenethiol is sourced from PubChem (CID 150249754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).