1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea

C9H12N2S2 — CID 2730103

IUPAC1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
SMILESS=C(NCc1cccs1)NC1CC1
InChIInChI=1S/C9H12N2S2/c12-9(11-7-3-4-7)10-6-8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,11,12)
InChIKeyIGXLXPKSPCGRJU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.87
Rot. Bonds3

About 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea

1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea (PubChem CID 2730103) has the molecular formula C9H12N2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
PubChem CID2730103
Molecular FormulaC9H12N2S2
Molecular Weight212.34 g/mol
Exact Mass212.04
IUPAC Name1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
SMILESS=C(NCc1cccs1)NC1CC1
InChIInChI=1S/C9H12N2S2/c12-9(11-7-3-4-7)10-6-8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,11,12)
InChIKeyIGXLXPKSPCGRJU-UHFFFAOYSA-N
XLogP1.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.87
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-(2-methylcyclohexyl)-3-(thiophen-2-ylmethyl)thiourea
CID 46800412
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(thiophen-2-ylmethyl)thiourea
CID 98293704
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
1-[(2-bromophenyl)methyl]-3-cyclopropylthiourea
CID 115596913
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 86909979
N-cyclopropyl-4-[(E)-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 35561461

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea (CID 2730103) is 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea is S=C(NCc1cccs1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea?
The InChIKey is IGXLXPKSPCGRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S2/c12-9(11-7-3-4-7)10-6-8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea?
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea has a molecular weight of 212.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 2730103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).