2-amino-2-phenylethanethiol

C8H11NS — CID 19043007

IUPAC2-amino-2-phenylethanethiol
SMILESNC(CS)c1ccccc1
InChIInChI=1S/C8H11NS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKeyBYWNHDXZFZXBLV-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-2-phenylethanethiol

2-amino-2-phenylethanethiol (PubChem CID 19043007) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-amino-2-phenylethanethiol.

Molecular Properties

Compound Name2-amino-2-phenylethanethiol
PubChem CID19043007
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-amino-2-phenylethanethiol
SMILESNC(CS)c1ccccc1
InChIInChI=1S/C8H11NS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKeyBYWNHDXZFZXBLV-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylethanethiol?
The IUPAC name of 2-amino-2-phenylethanethiol (CID 19043007) is 2-amino-2-phenylethanethiol.
What is the SMILES notation for 2-amino-2-phenylethanethiol?
The canonical SMILES for 2-amino-2-phenylethanethiol is NC(CS)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylethanethiol?
The InChIKey is BYWNHDXZFZXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2.
What are the key properties of 2-amino-2-phenylethanethiol?
2-amino-2-phenylethanethiol has a molecular weight of 153.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylethanethiol is sourced from PubChem (CID 19043007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).