1-(10H-phenoxazin-2-yl)ethanethiol

C14H13NOS — CID 170632683

IUPAC1-(10H-phenoxazin-2-yl)ethanethiol
SMILESCC(S)c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C14H13NOS/c1-9(17)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)16-14/h2-9,15,17H,1H3
InChIKeyWHZFYAREBCPTFC-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.53
Rot. Bonds1

About 1-(10H-phenoxazin-2-yl)ethanethiol

1-(10H-phenoxazin-2-yl)ethanethiol (PubChem CID 170632683) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(10H-phenoxazin-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(10H-phenoxazin-2-yl)ethanethiol
PubChem CID170632683
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name1-(10H-phenoxazin-2-yl)ethanethiol
SMILESCC(S)c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C14H13NOS/c1-9(17)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)16-14/h2-9,15,17H,1H3
InChIKeyWHZFYAREBCPTFC-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(10H-phenoxazin-2-yl)ethanethiol?
The IUPAC name of 1-(10H-phenoxazin-2-yl)ethanethiol (CID 170632683) is 1-(10H-phenoxazin-2-yl)ethanethiol.
What is the SMILES notation for 1-(10H-phenoxazin-2-yl)ethanethiol?
The canonical SMILES for 1-(10H-phenoxazin-2-yl)ethanethiol is CC(S)c1ccc2c(c1)Nc1ccccc1O2.
What is the InChIKey of 1-(10H-phenoxazin-2-yl)ethanethiol?
The InChIKey is WHZFYAREBCPTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9(17)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)16-14/h2-9,15,17H,1H3.
What are the key properties of 1-(10H-phenoxazin-2-yl)ethanethiol?
1-(10H-phenoxazin-2-yl)ethanethiol has a molecular weight of 243.33 g/mol, XLogP of 4.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10H-phenoxazin-2-yl)ethanethiol is sourced from PubChem (CID 170632683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).