1-cyclopropylsulfanylethanethiol

C5H10S2 — CID 175507256

IUPAC1-cyclopropylsulfanylethanethiol
SMILESCC(S)SC1CC1
InChIInChI=1S/C5H10S2/c1-4(6)7-5-2-3-5/h4-6H,2-3H2,1H3
InChIKeyLGHOZMWWKMTFOH-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.16
Rot. Bonds2

About 1-cyclopropylsulfanylethanethiol

1-cyclopropylsulfanylethanethiol (PubChem CID 175507256) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 1-cyclopropylsulfanylethanethiol.

Molecular Properties

Compound Name1-cyclopropylsulfanylethanethiol
PubChem CID175507256
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name1-cyclopropylsulfanylethanethiol
SMILESCC(S)SC1CC1
InChIInChI=1S/C5H10S2/c1-4(6)7-5-2-3-5/h4-6H,2-3H2,1H3
InChIKeyLGHOZMWWKMTFOH-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfanylethanethiol?
The IUPAC name of 1-cyclopropylsulfanylethanethiol (CID 175507256) is 1-cyclopropylsulfanylethanethiol.
What is the SMILES notation for 1-cyclopropylsulfanylethanethiol?
The canonical SMILES for 1-cyclopropylsulfanylethanethiol is CC(S)SC1CC1.
What is the InChIKey of 1-cyclopropylsulfanylethanethiol?
The InChIKey is LGHOZMWWKMTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-4(6)7-5-2-3-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-cyclopropylsulfanylethanethiol?
1-cyclopropylsulfanylethanethiol has a molecular weight of 134.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfanylethanethiol is sourced from PubChem (CID 175507256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).