2-methyldecane-3-thione

C11H22S — CID 57032635

IUPAC2-methyldecane-3-thione
SMILESCCCCCCCC(=S)C(C)C
InChIInChI=1S/C11H22S/c1-4-5-6-7-8-9-11(12)10(2)3/h10H,4-9H2,1-3H3
InChIKeyYQXDWENCUHZUPY-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.37
Rot. Bonds7

About 2-methyldecane-3-thione

2-methyldecane-3-thione (PubChem CID 57032635) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 2-methyldecane-3-thione.

Molecular Properties

Compound Name2-methyldecane-3-thione
PubChem CID57032635
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name2-methyldecane-3-thione
SMILESCCCCCCCC(=S)C(C)C
InChIInChI=1S/C11H22S/c1-4-5-6-7-8-9-11(12)10(2)3/h10H,4-9H2,1-3H3
InChIKeyYQXDWENCUHZUPY-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

tridecane-7-thione
CID 13433382
octadecane-9,10-dithione
CID 118647989
tricosane-12-thione
CID 175705265
2-methylhexadecan-3-one
CID 58030381
nonanethioyl chloride
CID 54550885
N-methyl-N-propan-2-yloctanethioamide
CID 162517919
2-methyl-3-propan-2-yloctadec-2-ene
CID 174104969
octane;propan-2-ol
CID 160746796
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
calcium bis(pentadecanethioate)
CID 141134589
O-hexan-2-yl octanethioate
CID 90473482

Frequently Asked Questions

What is the IUPAC name of 2-methyldecane-3-thione?
The IUPAC name of 2-methyldecane-3-thione (CID 57032635) is 2-methyldecane-3-thione.
What is the SMILES notation for 2-methyldecane-3-thione?
The canonical SMILES for 2-methyldecane-3-thione is CCCCCCCC(=S)C(C)C.
What is the InChIKey of 2-methyldecane-3-thione?
The InChIKey is YQXDWENCUHZUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-4-5-6-7-8-9-11(12)10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 2-methyldecane-3-thione?
2-methyldecane-3-thione has a molecular weight of 186.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecane-3-thione is sourced from PubChem (CID 57032635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).