1-thiophen-3-ylpropan-2-ylthiourea

C8H12N2S2 — CID 61473973

IUPAC1-thiophen-3-ylpropan-2-ylthiourea
SMILESCC(Cc1ccsc1)NC(N)=S
InChIInChI=1S/C8H12N2S2/c1-6(10-8(9)11)4-7-2-3-12-5-7/h2-3,5-6H,4H2,1H3,(H3,9,10,11)
InChIKeySEJJSPCFXYVOAR-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.51
Rot. Bonds3

About 1-thiophen-3-ylpropan-2-ylthiourea

1-thiophen-3-ylpropan-2-ylthiourea (PubChem CID 61473973) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-thiophen-3-ylpropan-2-ylthiourea.

Molecular Properties

Compound Name1-thiophen-3-ylpropan-2-ylthiourea
PubChem CID61473973
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name1-thiophen-3-ylpropan-2-ylthiourea
SMILESCC(Cc1ccsc1)NC(N)=S
InChIInChI=1S/C8H12N2S2/c1-6(10-8(9)11)4-7-2-3-12-5-7/h2-3,5-6H,4H2,1H3,(H3,9,10,11)
InChIKeySEJJSPCFXYVOAR-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea
CID 115590115
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpropan-2-ylthiourea?
The IUPAC name of 1-thiophen-3-ylpropan-2-ylthiourea (CID 61473973) is 1-thiophen-3-ylpropan-2-ylthiourea.
What is the SMILES notation for 1-thiophen-3-ylpropan-2-ylthiourea?
The canonical SMILES for 1-thiophen-3-ylpropan-2-ylthiourea is CC(Cc1ccsc1)NC(N)=S.
What is the InChIKey of 1-thiophen-3-ylpropan-2-ylthiourea?
The InChIKey is SEJJSPCFXYVOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-6(10-8(9)11)4-7-2-3-12-5-7/h2-3,5-6H,4H2,1H3,(H3,9,10,11).
What are the key properties of 1-thiophen-3-ylpropan-2-ylthiourea?
1-thiophen-3-ylpropan-2-ylthiourea has a molecular weight of 200.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylpropan-2-ylthiourea is sourced from PubChem (CID 61473973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).