2-amino-3,4,5-tri(propan-2-yl)benzenethiol

C15H25NS — CID 134347258

IUPAC2-amino-3,4,5-tri(propan-2-yl)benzenethiol
SMILESCC(C)c1cc(S)c(N)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H25NS/c1-8(2)11-7-12(17)15(16)14(10(5)6)13(11)9(3)4/h7-10,17H,16H2,1-6H3
InChIKeyHCTYAAABZQQYFS-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.93
Rot. Bonds3

About 2-amino-3,4,5-tri(propan-2-yl)benzenethiol

2-amino-3,4,5-tri(propan-2-yl)benzenethiol (PubChem CID 134347258) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-amino-3,4,5-tri(propan-2-yl)benzenethiol.

Molecular Properties

Compound Name2-amino-3,4,5-tri(propan-2-yl)benzenethiol
PubChem CID134347258
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-amino-3,4,5-tri(propan-2-yl)benzenethiol
SMILESCC(C)c1cc(S)c(N)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H25NS/c1-8(2)11-7-12(17)15(16)14(10(5)6)13(11)9(3)4/h7-10,17H,16H2,1-6H3
InChIKeyHCTYAAABZQQYFS-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.93
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-amino-3,4,5-tri(propan-2-yl)phenol
CID 134347284
1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
CID 54148027
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline
CID 139432981
bis(4-[4-amino-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)aniline);sulfur dioxide
CID 166682313
3,4-dimethyl-2,5-di(propan-2-yl)aniline
CID 19747078
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]propyl]-2,6-di(propan-2-yl)aniline
CID 70421287
ethane;3-propan-2-yl-4-sulfanylphenol
CID 145374319
4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
4-[(4-amino-2-chloro-3-methyl-5-propan-2-ylphenyl)methyl]-3,5-dichloro-2-methyl-6-propan-2-ylaniline
CID 87073533

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5-tri(propan-2-yl)benzenethiol?
The IUPAC name of 2-amino-3,4,5-tri(propan-2-yl)benzenethiol (CID 134347258) is 2-amino-3,4,5-tri(propan-2-yl)benzenethiol.
What is the SMILES notation for 2-amino-3,4,5-tri(propan-2-yl)benzenethiol?
The canonical SMILES for 2-amino-3,4,5-tri(propan-2-yl)benzenethiol is CC(C)c1cc(S)c(N)c(C(C)C)c1C(C)C.
What is the InChIKey of 2-amino-3,4,5-tri(propan-2-yl)benzenethiol?
The InChIKey is HCTYAAABZQQYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-8(2)11-7-12(17)15(16)14(10(5)6)13(11)9(3)4/h7-10,17H,16H2,1-6H3.
What are the key properties of 2-amino-3,4,5-tri(propan-2-yl)benzenethiol?
2-amino-3,4,5-tri(propan-2-yl)benzenethiol has a molecular weight of 251.44 g/mol, XLogP of 4.93, 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-tri(propan-2-yl)benzenethiol is sourced from PubChem (CID 134347258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).