1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea

C10H22N2S2 — CID 115662944

IUPAC1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
SMILESCSC(C)(C)CNC(=S)NCC(C)C
InChIInChI=1S/C10H22N2S2/c1-8(2)6-11-9(13)12-7-10(3,4)14-5/h8H,6-7H2,1-5H3,(H2,11,12,13)
InChIKeyITFKOCSGMREYOL-UHFFFAOYSA-N
MW234.43 g/mol
LogP2.25
Rot. Bonds5

About 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea

1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea (PubChem CID 115662944) has the molecular formula C10H22N2S2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
PubChem CID115662944
Molecular FormulaC10H22N2S2
Molecular Weight234.43 g/mol
Exact Mass234.12
IUPAC Name1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
SMILESCSC(C)(C)CNC(=S)NCC(C)C
InChIInChI=1S/C10H22N2S2/c1-8(2)6-11-9(13)12-7-10(3,4)14-5/h8H,6-7H2,1-5H3,(H2,11,12,13)
InChIKeyITFKOCSGMREYOL-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 52.25
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-butyl-3-(2-methyl-2-methylsulfanylpropyl)thiourea
CID 115662947
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
1-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520307
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 111814810
1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea
CID 115606395
N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
CID 115571220
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611958
1-(2-methylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thiourea
CID 115576760
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea (CID 115662944) is 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea is CSC(C)(C)CNC(=S)NCC(C)C.
What is the InChIKey of 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea?
The InChIKey is ITFKOCSGMREYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S2/c1-8(2)6-11-9(13)12-7-10(3,4)14-5/h8H,6-7H2,1-5H3,(H2,11,12,13).
What are the key properties of 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea?
1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea has a molecular weight of 234.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 115662944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).