1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea

C9H18N2S2 — CID 103709712

IUPAC1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
SMILESCC(C)CNC(=S)NC1CCSC1
InChIInChI=1S/C9H18N2S2/c1-7(2)5-10-9(12)11-8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyGLRPRAGYTFDOCR-UHFFFAOYSA-N
MW218.39 g/mol
LogP1.61
Rot. Bonds3

About 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea

1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea (PubChem CID 103709712) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
PubChem CID103709712
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC Name1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
SMILESCC(C)CNC(=S)NC1CCSC1
InChIInChI=1S/C9H18N2S2/c1-7(2)5-10-9(12)11-8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyGLRPRAGYTFDOCR-UHFFFAOYSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 51.61
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-propan-2-yl-3-(thiolan-3-yl)thiourea
CID 103709717
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
CID 115920118
1-(3,4-dimethylcyclohexyl)-3-(2-methylpropyl)thiourea
CID 104587670
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
1-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 17264003
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
CID 117234419
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
1-(1,2-dimethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 115647028
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea?
The IUPAC name of 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea (CID 103709712) is 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea?
The canonical SMILES for 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea is CC(C)CNC(=S)NC1CCSC1.
What is the InChIKey of 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea?
The InChIKey is GLRPRAGYTFDOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S2/c1-7(2)5-10-9(12)11-8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea?
1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea has a molecular weight of 218.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea is sourced from PubChem (CID 103709712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).