thiolan-3-ylurea

C5H10N2OS — CID 90722739

IUPACthiolan-3-ylurea
SMILESNC(=O)NC1CCSC1
InChIInChI=1S/C5H10N2OS/c6-5(8)7-4-1-2-9-3-4/h4H,1-3H2,(H3,6,7,8)
InChIKeyRTHJZIYLZCGBCN-UHFFFAOYSA-N
MW146.22 g/mol
LogP0.16
Rot. Bonds1

About thiolan-3-ylurea

thiolan-3-ylurea (PubChem CID 90722739) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is thiolan-3-ylurea.

Molecular Properties

Compound Namethiolan-3-ylurea
PubChem CID90722739
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Namethiolan-3-ylurea
SMILESNC(=O)NC1CCSC1
InChIInChI=1S/C5H10N2OS/c6-5(8)7-4-1-2-9-3-4/h4H,1-3H2,(H3,6,7,8)
InChIKeyRTHJZIYLZCGBCN-UHFFFAOYSA-N
XLogP0.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,1-Dioxo-1lambda6-thiolan-3-yl)urea
CID 3091620
1-(Thiolan-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 103710057
1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea
CID 130614724
1-(2-Fluoroethyl)-3-(thiolan-3-yl)urea
CID 130775782
1-Methyl-3-(thiolan-3-yl)urea
CID 77483990
3-Methylsulfanylpropylurea
CID 20756432
1-methyl-1-[(3R)-thiolan-3-yl]urea
CID 59831557
3-(2-Methylsulfanylethylsulfanyl)propylurea
CID 59941930
1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea
CID 67582216
1-ethyl-3-methyl-1-[(3S)-thiolan-3-yl]urea
CID 67582670
1-Methyl-3-(2-methylthiolan-3-yl)urea
CID 68026356
1-methyl-3-[(3S)-thiolan-3-yl]urea
CID 68338349

Frequently Asked Questions

What is the IUPAC name of thiolan-3-ylurea?
The IUPAC name of thiolan-3-ylurea (CID 90722739) is thiolan-3-ylurea.
What is the SMILES notation for thiolan-3-ylurea?
The canonical SMILES for thiolan-3-ylurea is NC(=O)NC1CCSC1.
What is the InChIKey of thiolan-3-ylurea?
The InChIKey is RTHJZIYLZCGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-5(8)7-4-1-2-9-3-4/h4H,1-3H2,(H3,6,7,8).
What are the key properties of thiolan-3-ylurea?
thiolan-3-ylurea has a molecular weight of 146.22 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-3-ylurea is sourced from PubChem (CID 90722739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).