2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol

C8H12FNOS2 — CID 142522485

IUPAC2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol
SMILESC=S(N)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H12FNOS2/c1-8(2,11)6-4-5(9)7(12-6)13(3)10/h4,11H,3,10H2,1-2H3
InChIKeyQDVVLDDPQOHLRB-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.05
Rot. Bonds2

About 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol

2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol (PubChem CID 142522485) has the molecular formula C8H12FNOS2 and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol
PubChem CID142522485
Molecular FormulaC8H12FNOS2
Molecular Weight221.32 g/mol
Exact Mass221.03
IUPAC Name2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol
SMILESC=S(N)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H12FNOS2/c1-8(2,11)6-4-5(9)7(12-6)13(3)10/h4,11H,3,10H2,1-2H3
InChIKeyQDVVLDDPQOHLRB-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol (CID 142522485) is 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol is C=S(N)c1sc(C(C)(C)O)cc1F.
What is the InChIKey of 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol?
The InChIKey is QDVVLDDPQOHLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNOS2/c1-8(2,11)6-4-5(9)7(12-6)13(3)10/h4,11H,3,10H2,1-2H3.
What are the key properties of 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol?
2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol has a molecular weight of 221.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino(methylidene)-λ4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol is sourced from PubChem (CID 142522485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).