1-ethyl-1-propan-2-yl-3-propylthiourea

C9H20N2S — CID 116507324

IUPAC1-ethyl-1-propan-2-yl-3-propylthiourea
SMILESCCCNC(=S)N(CC)C(C)C
InChIInChI=1S/C9H20N2S/c1-5-7-10-9(12)11(6-2)8(3)4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyKBFTYEAFLYLLTH-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.00
Rot. Bonds4

About 1-ethyl-1-propan-2-yl-3-propylthiourea

1-ethyl-1-propan-2-yl-3-propylthiourea (PubChem CID 116507324) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-ethyl-1-propan-2-yl-3-propylthiourea.

Molecular Properties

Compound Name1-ethyl-1-propan-2-yl-3-propylthiourea
PubChem CID116507324
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-1-propan-2-yl-3-propylthiourea
SMILESCCCNC(=S)N(CC)C(C)C
InChIInChI=1S/C9H20N2S/c1-5-7-10-9(12)11(6-2)8(3)4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyKBFTYEAFLYLLTH-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-ethyl-1-propan-2-ylthiourea
CID 116507332
1-butan-2-yl-3-(3-ethoxypropyl)-1-ethylthiourea
CID 116507368
3-ethyl-1-pentyl-1-propan-2-ylthiourea
CID 115594194
1-(2,2-difluoroethyl)-1-methyl-3-propylthiourea
CID 115611441
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
1,3-diethyl-1-(1-methoxypropan-2-yl)thiourea
CID 116507879
1-[2-(dimethylamino)ethyl]-1-methyl-3-propylthiourea
CID 116508663
N-ethyl-3-methyl-N-propan-2-ylbutanethioamide
CID 91178323
1-[1-(diethylamino)propan-2-yl]-3-propylthiourea
CID 115594307
2-[2-(diethylamino)propyl]-1-propylguanidine
CID 111055329
2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
CID 88699422
1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea
CID 115618052

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-propan-2-yl-3-propylthiourea?
The IUPAC name of 1-ethyl-1-propan-2-yl-3-propylthiourea (CID 116507324) is 1-ethyl-1-propan-2-yl-3-propylthiourea.
What is the SMILES notation for 1-ethyl-1-propan-2-yl-3-propylthiourea?
The canonical SMILES for 1-ethyl-1-propan-2-yl-3-propylthiourea is CCCNC(=S)N(CC)C(C)C.
What is the InChIKey of 1-ethyl-1-propan-2-yl-3-propylthiourea?
The InChIKey is KBFTYEAFLYLLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-5-7-10-9(12)11(6-2)8(3)4/h8H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 1-ethyl-1-propan-2-yl-3-propylthiourea?
1-ethyl-1-propan-2-yl-3-propylthiourea has a molecular weight of 188.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-propan-2-yl-3-propylthiourea is sourced from PubChem (CID 116507324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).