2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol

C7H10FNOS2 — CID 142522427

IUPAC2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc(F)c(SN)s1
InChIInChI=1S/C7H10FNOS2/c1-7(2,10)5-3-4(8)6(11-5)12-9/h3,10H,9H2,1-2H3
InChIKeyICZGCFNOJOFULD-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.08
Rot. Bonds2

About 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol

2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol (PubChem CID 142522427) has the molecular formula C7H10FNOS2 and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol
PubChem CID142522427
Molecular FormulaC7H10FNOS2
Molecular Weight207.29 g/mol
Exact Mass207.02
IUPAC Name2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc(F)c(SN)s1
InChIInChI=1S/C7H10FNOS2/c1-7(2,10)5-3-4(8)6(11-5)12-9/h3,10H,9H2,1-2H3
InChIKeyICZGCFNOJOFULD-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol (CID 142522427) is 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol is CC(C)(O)c1cc(F)c(SN)s1.
What is the InChIKey of 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol?
The InChIKey is ICZGCFNOJOFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNOS2/c1-7(2,10)5-3-4(8)6(11-5)12-9/h3,10H,9H2,1-2H3.
What are the key properties of 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol?
2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol has a molecular weight of 207.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 142522427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).