(4-methyl-3-propan-2-ylpent-2-enyl)thiourea

C10H20N2S — CID 165175589

IUPAC(4-methyl-3-propan-2-ylpent-2-enyl)thiourea
SMILESCC(C)C(=CCNC(N)=S)C(C)C
InChIInChI=1S/C10H20N2S/c1-7(2)9(8(3)4)5-6-12-10(11)13/h5,7-8H,6H2,1-4H3,(H3,11,12,13)
InChIKeyMVKVPLBKEFBKAS-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.06
Rot. Bonds4

About (4-methyl-3-propan-2-ylpent-2-enyl)thiourea

(4-methyl-3-propan-2-ylpent-2-enyl)thiourea (PubChem CID 165175589) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (4-methyl-3-propan-2-ylpent-2-enyl)thiourea.

Molecular Properties

Compound Name(4-methyl-3-propan-2-ylpent-2-enyl)thiourea
PubChem CID165175589
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(4-methyl-3-propan-2-ylpent-2-enyl)thiourea
SMILESCC(C)C(=CCNC(N)=S)C(C)C
InChIInChI=1S/C10H20N2S/c1-7(2)9(8(3)4)5-6-12-10(11)13/h5,7-8H,6H2,1-4H3,(H3,11,12,13)
InChIKeyMVKVPLBKEFBKAS-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.06
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'}

Analyze (4-methyl-3-propan-2-ylpent-2-enyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]thiourea
CID 102430047
3-Ethylpent-2-enylthiourea
CID 87751961
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylthiourea
CID 88939449
1-(3,7-Dimethylocta-2,6-dienyl)-3-methylthiourea
CID 123622745
6-Methylhept-2-enylthiourea
CID 165175586
Hept-2-enylthiourea
CID 165175594
5-Methylhept-2-enylthiourea
CID 165175595
4-Methylpent-2-enylthiourea
CID 165175600
3-Cyclopentylprop-2-enylthiourea
CID 165175603
3-Butylhept-2-enylthiourea
CID 165175606
3-Propylhex-2-enylthiourea
CID 165175608
[(2Z)-3,7-dimethylocta-2,6-dienyl]thiourea;hydrochloride
CID 173375351

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-propan-2-ylpent-2-enyl)thiourea?
The IUPAC name of (4-methyl-3-propan-2-ylpent-2-enyl)thiourea (CID 165175589) is (4-methyl-3-propan-2-ylpent-2-enyl)thiourea.
What is the SMILES notation for (4-methyl-3-propan-2-ylpent-2-enyl)thiourea?
The canonical SMILES for (4-methyl-3-propan-2-ylpent-2-enyl)thiourea is CC(C)C(=CCNC(N)=S)C(C)C.
What is the InChIKey of (4-methyl-3-propan-2-ylpent-2-enyl)thiourea?
The InChIKey is MVKVPLBKEFBKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-7(2)9(8(3)4)5-6-12-10(11)13/h5,7-8H,6H2,1-4H3,(H3,11,12,13).
What are the key properties of (4-methyl-3-propan-2-ylpent-2-enyl)thiourea?
(4-methyl-3-propan-2-ylpent-2-enyl)thiourea has a molecular weight of 200.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-propan-2-ylpent-2-enyl)thiourea is sourced from PubChem (CID 165175589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).