1-sulfanylpropan-2-ylurea

C4H10N2OS — CID 89224596

IUPAC1-sulfanylpropan-2-ylurea
SMILESCC(CS)NC(N)=O
InChIInChI=1S/C4H10N2OS/c1-3(2-8)6-4(5)7/h3,8H,2H2,1H3,(H3,5,6,7)
InChIKeyJQENLRLOXYCJTK-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.03
Rot. Bonds2

About 1-sulfanylpropan-2-ylurea

1-sulfanylpropan-2-ylurea (PubChem CID 89224596) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-sulfanylpropan-2-ylurea.

Molecular Properties

Compound Name1-sulfanylpropan-2-ylurea
PubChem CID89224596
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-sulfanylpropan-2-ylurea
SMILESCC(CS)NC(N)=O
InChIInChI=1S/C4H10N2OS/c1-3(2-8)6-4(5)7/h3,8H,2H2,1H3,(H3,5,6,7)
InChIKeyJQENLRLOXYCJTK-UHFFFAOYSA-N
XLogP-0.03
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
1-(dimethylamino)ethylurea
CID 169101887
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
3,3,5,5,8-pentamethyl-7-oxo-N-(1-sulfanylpropan-2-yl)nonanamide
CID 165129655
[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
CID 92527887
1-(carbamoylamino)ethanesulfinic acid
CID 141204659
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
1-cyanoethylurea
CID 61124202
dichloromethylurea
CID 23083847

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpropan-2-ylurea?
The IUPAC name of 1-sulfanylpropan-2-ylurea (CID 89224596) is 1-sulfanylpropan-2-ylurea.
What is the SMILES notation for 1-sulfanylpropan-2-ylurea?
The canonical SMILES for 1-sulfanylpropan-2-ylurea is CC(CS)NC(N)=O.
What is the InChIKey of 1-sulfanylpropan-2-ylurea?
The InChIKey is JQENLRLOXYCJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3(2-8)6-4(5)7/h3,8H,2H2,1H3,(H3,5,6,7).
What are the key properties of 1-sulfanylpropan-2-ylurea?
1-sulfanylpropan-2-ylurea has a molecular weight of 134.20 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpropan-2-ylurea is sourced from PubChem (CID 89224596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).