2-methylphosphanylethanethiol

C3H9PS — CID 146234008

IUPAC2-methylphosphanylethanethiol
SMILESCPCCS
InChIInChI=1S/C3H9PS/c1-4-2-3-5/h4-5H,2-3H2,1H3
InChIKeyNBWWRRIQICJJLV-UHFFFAOYSA-N
MW108.15 g/mol
LogP1.22
Rot. Bonds2

About 2-methylphosphanylethanethiol

2-methylphosphanylethanethiol (PubChem CID 146234008) has the molecular formula C3H9PS and a molecular weight of 108.15 g/mol. Its IUPAC name is 2-methylphosphanylethanethiol.

Molecular Properties

Compound Name2-methylphosphanylethanethiol
PubChem CID146234008
Molecular FormulaC3H9PS
Molecular Weight108.15 g/mol
Exact Mass108.02
IUPAC Name2-methylphosphanylethanethiol
SMILESCPCCS
InChIInChI=1S/C3H9PS/c1-4-2-3-5/h4-5H,2-3H2,1H3
InChIKeyNBWWRRIQICJJLV-UHFFFAOYSA-N
XLogP1.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl(2-methylphosphanylethyl)phosphane
CID 16705511
3-methylphosphanylpropane-1,1,1-triol
CID 88687506
ethane-1,2-dithiol
CID 87812323
4-methylphosphanylbutan-2-amine
CID 170035642
methyl(nonyl)phosphane;thulium
CID 87745413
ethane-1,2-dithiol;propane-1-thiol
CID 161052956
5-(methylphosphanylmethyl)-4-propyloctane-1-thiol
CID 172567012
(1,2-13C2)ethanethiol
CID 169439901
sodium ethane-1,2-dithiol
CID 54604412
tris(2-dodecylsulfanylethanethiol);stibane
CID 173397568
3,5-dimethyl-4-propan-2-ylhexane-1-thiol
CID 123460007
ethane-1,2-dithiol;ethanol;propane
CID 90729745

Frequently Asked Questions

What is the IUPAC name of 2-methylphosphanylethanethiol?
The IUPAC name of 2-methylphosphanylethanethiol (CID 146234008) is 2-methylphosphanylethanethiol.
What is the SMILES notation for 2-methylphosphanylethanethiol?
The canonical SMILES for 2-methylphosphanylethanethiol is CPCCS.
What is the InChIKey of 2-methylphosphanylethanethiol?
The InChIKey is NBWWRRIQICJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9PS/c1-4-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-methylphosphanylethanethiol?
2-methylphosphanylethanethiol has a molecular weight of 108.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphosphanylethanethiol is sourced from PubChem (CID 146234008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).