1-but-3-en-2-yl-3-cyclopropylthiourea

C8H14N2S — CID 130832702

IUPAC1-but-3-en-2-yl-3-cyclopropylthiourea
SMILESC=CC(C)NC(=S)NC1CC1
InChIInChI=1S/C8H14N2S/c1-3-6(2)9-8(11)10-7-4-5-7/h3,6-7H,1,4-5H2,2H3,(H2,9,10,11)
InChIKeyPEBRLUOIGQEPKJ-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.19
Rot. Bonds3

About 1-but-3-en-2-yl-3-cyclopropylthiourea

1-but-3-en-2-yl-3-cyclopropylthiourea (PubChem CID 130832702) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-cyclopropylthiourea
PubChem CID130832702
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-but-3-en-2-yl-3-cyclopropylthiourea
SMILESC=CC(C)NC(=S)NC1CC1
InChIInChI=1S/C8H14N2S/c1-3-6(2)9-8(11)10-7-4-5-7/h3,6-7H,1,4-5H2,2H3,(H2,9,10,11)
InChIKeyPEBRLUOIGQEPKJ-UHFFFAOYSA-N
XLogP1.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
2-(cyclopropylcarbamothioylamino)propanamide
CID 116507427
1-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
1-cyclopropyl-3-[1-(dimethylamino)propan-2-yl]thiourea
CID 116509742
1-cyclopropyl-3-[4-(dimethylamino)butan-2-yl]thiourea
CID 115596154
1-but-3-yn-2-yl-3-cyclobutylthiourea
CID 130742363
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
1-(1-cyclohexylpropyl)-3-cyclopropylthiourea
CID 115602012

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-cyclopropylthiourea?
The IUPAC name of 1-but-3-en-2-yl-3-cyclopropylthiourea (CID 130832702) is 1-but-3-en-2-yl-3-cyclopropylthiourea.
What is the SMILES notation for 1-but-3-en-2-yl-3-cyclopropylthiourea?
The canonical SMILES for 1-but-3-en-2-yl-3-cyclopropylthiourea is C=CC(C)NC(=S)NC1CC1.
What is the InChIKey of 1-but-3-en-2-yl-3-cyclopropylthiourea?
The InChIKey is PEBRLUOIGQEPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-6(2)9-8(11)10-7-4-5-7/h3,6-7H,1,4-5H2,2H3,(H2,9,10,11).
What are the key properties of 1-but-3-en-2-yl-3-cyclopropylthiourea?
1-but-3-en-2-yl-3-cyclopropylthiourea has a molecular weight of 170.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-cyclopropylthiourea is sourced from PubChem (CID 130832702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).