[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea

C10H12N2OS — CID 3072136

IUPAC[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
SMILESNC(=S)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C10H12N2OS/c11-10(14)12-9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-9,13H,5H2,(H3,11,12,14)/t8-,9-/m1/s1
InChIKeyVYMANYOHQDLION-RKDXNWHRSA-N
MW208.29 g/mol
LogP0.48
Rot. Bonds1

About [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea

[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea (PubChem CID 3072136) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
PubChem CID3072136
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea
SMILESNC(=S)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C10H12N2OS/c11-10(14)12-9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-9,13H,5H2,(H3,11,12,14)/t8-,9-/m1/s1
InChIKeyVYMANYOHQDLION-RKDXNWHRSA-N
XLogP0.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea?
The IUPAC name of [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea (CID 3072136) is [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea.
What is the SMILES notation for [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea?
The canonical SMILES for [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea is NC(=S)N[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea?
The InChIKey is VYMANYOHQDLION-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-10(14)12-9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-9,13H,5H2,(H3,11,12,14)/t8-,9-/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea?
[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea has a molecular weight of 208.29 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea is sourced from PubChem (CID 3072136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).