1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea

C4H9FN2OS — CID 164552058

IUPAC1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea
SMILESCNC(=S)NCC(O)F
InChIInChI=1S/C4H9FN2OS/c1-6-4(9)7-2-3(5)8/h3,8H,2H2,1H3,(H2,6,7,9)
InChIKeyMAFQWQGWIQKVLX-UHFFFAOYSA-N
MW152.19 g/mol
LogP-0.63
Rot. Bonds2

About 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea

1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea (PubChem CID 164552058) has the molecular formula C4H9FN2OS and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea
PubChem CID164552058
Molecular FormulaC4H9FN2OS
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC Name1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea
SMILESCNC(=S)NCC(O)F
InChIInChI=1S/C4H9FN2OS/c1-6-4(9)7-2-3(5)8/h3,8H,2H2,1H3,(H2,6,7,9)
InChIKeyMAFQWQGWIQKVLX-UHFFFAOYSA-N
XLogP-0.63
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Hydroxyethyl)thiourea
CID 3254090
1-(2-Hydroxyethyl)-3-propylthiourea
CID 2824653
N-methyl-N'-2-hydroxypropylthiourea
CID 4485742
1,3-Bis(2-hydroxyethyl)thiourea
CID 22411782
1-Ethyl-3-(2-hydroxyethyl)thiourea
CID 3281145
1-[t-Butyl]-3-[2-hydroxyethyl]-2-thiourea
CID 5363332
3-(2-Fluoroethyl)-1-(2-hydroxyethyl)thiourea
CID 165508063
3-(2-Fluoroethyl)-1-(1-hydroxybutan-2-yl)thiourea
CID 165508065
3-(2-Fluoroethyl)-1-(2-hydroxypropyl)thiourea
CID 165508067
3-(2-Fluoroethyl)-1-(2-methoxyethyl)thiourea
CID 165523394
3-(2-Fluoroethyl)-1-(1-hydroxypropan-2-yl)thiourea
CID 165523468
3-(2-Fluoroethyl)-1-(3-hydroxybutan-2-yl)thiourea
CID 165523939

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea?
The IUPAC name of 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea (CID 164552058) is 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea.
What is the SMILES notation for 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea?
The canonical SMILES for 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea is CNC(=S)NCC(O)F.
What is the InChIKey of 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea?
The InChIKey is MAFQWQGWIQKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2OS/c1-6-4(9)7-2-3(5)8/h3,8H,2H2,1H3,(H2,6,7,9).
What are the key properties of 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea?
1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea has a molecular weight of 152.19 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-hydroxyethyl)-3-methylthiourea is sourced from PubChem (CID 164552058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).