6-methylsulfanylhexylthiourea

C8H18N2S2 — CID 103846112

IUPAC6-methylsulfanylhexylthiourea
SMILESCSCCCCCCNC(N)=S
InChIInChI=1S/C8H18N2S2/c1-12-7-5-3-2-4-6-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyOVTXKMKNAHBMDR-UHFFFAOYSA-N
MW206.38 g/mol
LogP1.74
Rot. Bonds7

About 6-methylsulfanylhexylthiourea

6-methylsulfanylhexylthiourea (PubChem CID 103846112) has the molecular formula C8H18N2S2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 6-methylsulfanylhexylthiourea.

Molecular Properties

Compound Name6-methylsulfanylhexylthiourea
PubChem CID103846112
Molecular FormulaC8H18N2S2
Molecular Weight206.38 g/mol
Exact Mass206.09
IUPAC Name6-methylsulfanylhexylthiourea
SMILESCSCCCCCCNC(N)=S
InChIInChI=1S/C8H18N2S2/c1-12-7-5-3-2-4-6-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyOVTXKMKNAHBMDR-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylhexylthiourea?
The IUPAC name of 6-methylsulfanylhexylthiourea (CID 103846112) is 6-methylsulfanylhexylthiourea.
What is the SMILES notation for 6-methylsulfanylhexylthiourea?
The canonical SMILES for 6-methylsulfanylhexylthiourea is CSCCCCCCNC(N)=S.
What is the InChIKey of 6-methylsulfanylhexylthiourea?
The InChIKey is OVTXKMKNAHBMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S2/c1-12-7-5-3-2-4-6-10-8(9)11/h2-7H2,1H3,(H3,9,10,11).
What are the key properties of 6-methylsulfanylhexylthiourea?
6-methylsulfanylhexylthiourea has a molecular weight of 206.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylhexylthiourea is sourced from PubChem (CID 103846112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).