5-methylsulfanylpentylthiourea

C7H16N2S2 — CID 103691566

IUPAC5-methylsulfanylpentylthiourea
SMILESCSCCCCCNC(N)=S
InChIInChI=1S/C7H16N2S2/c1-11-6-4-2-3-5-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyZZFWHYVLVJMUBK-UHFFFAOYSA-N
MW192.35 g/mol
LogP1.35
Rot. Bonds6

About 5-methylsulfanylpentylthiourea

5-methylsulfanylpentylthiourea (PubChem CID 103691566) has the molecular formula C7H16N2S2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 5-methylsulfanylpentylthiourea.

Molecular Properties

Compound Name5-methylsulfanylpentylthiourea
PubChem CID103691566
Molecular FormulaC7H16N2S2
Molecular Weight192.35 g/mol
Exact Mass192.08
IUPAC Name5-methylsulfanylpentylthiourea
SMILESCSCCCCCNC(N)=S
InChIInChI=1S/C7H16N2S2/c1-11-6-4-2-3-5-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyZZFWHYVLVJMUBK-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.35
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 5-methylsulfanylpentylthiourea?
The IUPAC name of 5-methylsulfanylpentylthiourea (CID 103691566) is 5-methylsulfanylpentylthiourea.
What is the SMILES notation for 5-methylsulfanylpentylthiourea?
The canonical SMILES for 5-methylsulfanylpentylthiourea is CSCCCCCNC(N)=S.
What is the InChIKey of 5-methylsulfanylpentylthiourea?
The InChIKey is ZZFWHYVLVJMUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S2/c1-11-6-4-2-3-5-9-7(8)10/h2-6H2,1H3,(H3,8,9,10).
What are the key properties of 5-methylsulfanylpentylthiourea?
5-methylsulfanylpentylthiourea has a molecular weight of 192.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylpentylthiourea is sourced from PubChem (CID 103691566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).