(2,2-difluorocyclopropyl)methylsulfanylmethanethiol

C5H8F2S2 — CID 162588124

IUPAC(2,2-difluorocyclopropyl)methylsulfanylmethanethiol
SMILESFC1(F)CC1CSCS
InChIInChI=1S/C5H8F2S2/c6-5(7)1-4(5)2-9-3-8/h4,8H,1-3H2
InChIKeyFMECOACIEOXVDN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.26
Rot. Bonds3

About (2,2-difluorocyclopropyl)methylsulfanylmethanethiol

(2,2-difluorocyclopropyl)methylsulfanylmethanethiol (PubChem CID 162588124) has the molecular formula C5H8F2S2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)methylsulfanylmethanethiol.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)methylsulfanylmethanethiol
PubChem CID162588124
Molecular FormulaC5H8F2S2
Molecular Weight170.25 g/mol
Exact Mass170.00
IUPAC Name(2,2-difluorocyclopropyl)methylsulfanylmethanethiol
SMILESFC1(F)CC1CSCS
InChIInChI=1S/C5H8F2S2/c6-5(7)1-4(5)2-9-3-8/h4,8H,1-3H2
InChIKeyFMECOACIEOXVDN-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.26
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 (2,2-difluorocyclopropyl)methylsulfanylmethanethiol?
The IUPAC name of (2,2-difluorocyclopropyl)methylsulfanylmethanethiol (CID 162588124) is (2,2-difluorocyclopropyl)methylsulfanylmethanethiol.
What is the SMILES notation for (2,2-difluorocyclopropyl)methylsulfanylmethanethiol?
The canonical SMILES for (2,2-difluorocyclopropyl)methylsulfanylmethanethiol is FC1(F)CC1CSCS.
What is the InChIKey of (2,2-difluorocyclopropyl)methylsulfanylmethanethiol?
The InChIKey is FMECOACIEOXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S2/c6-5(7)1-4(5)2-9-3-8/h4,8H,1-3H2.
What are the key properties of (2,2-difluorocyclopropyl)methylsulfanylmethanethiol?
(2,2-difluorocyclopropyl)methylsulfanylmethanethiol has a molecular weight of 170.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)methylsulfanylmethanethiol is sourced from PubChem (CID 162588124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).