5-methyl-2-methylidenehexane-1-thiol

C8H16S — CID 129191767

IUPAC5-methyl-2-methylidenehexane-1-thiol
SMILESC=C(CS)CCC(C)C
InChIInChI=1S/C8H16S/c1-7(2)4-5-8(3)6-9/h7,9H,3-6H2,1-2H3
InChIKeyPSZALECVXZHZRB-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.91
Rot. Bonds4

About 5-methyl-2-methylidenehexane-1-thiol

5-methyl-2-methylidenehexane-1-thiol (PubChem CID 129191767) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 5-methyl-2-methylidenehexane-1-thiol.

Molecular Properties

Compound Name5-methyl-2-methylidenehexane-1-thiol
PubChem CID129191767
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name5-methyl-2-methylidenehexane-1-thiol
SMILESC=C(CS)CCC(C)C
InChIInChI=1S/C8H16S/c1-7(2)4-5-8(3)6-9/h7,9H,3-6H2,1-2H3
InChIKeyPSZALECVXZHZRB-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-Octene-1-thiol, 3,7-dimethyl-
CID 13537624
(3R,4S,6S)-7-fluoro-3,6-dimethylhept-1-ene-4-thiol
CID 89110210
(6E)-3,7,11-trimethyldodeca-6,10-diene-1-thiol
CID 171109145
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
2,4-Dimethylpent-4-ene-1-thiol
CID 11607916
2-Butyl-4-pentenethiol
CID 129783071
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
2-Methylhept-1-ene-3-thiol
CID 21388152
(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene
CID 58219028
2,4-Dimethylhex-1-ene-1-thiol
CID 59877406
2-Pent-4-enylpropane-1,3-dithiol
CID 88533529

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidenehexane-1-thiol?
The IUPAC name of 5-methyl-2-methylidenehexane-1-thiol (CID 129191767) is 5-methyl-2-methylidenehexane-1-thiol.
What is the SMILES notation for 5-methyl-2-methylidenehexane-1-thiol?
The canonical SMILES for 5-methyl-2-methylidenehexane-1-thiol is C=C(CS)CCC(C)C.
What is the InChIKey of 5-methyl-2-methylidenehexane-1-thiol?
The InChIKey is PSZALECVXZHZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-7(2)4-5-8(3)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-methylidenehexane-1-thiol?
5-methyl-2-methylidenehexane-1-thiol has a molecular weight of 144.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidenehexane-1-thiol is sourced from PubChem (CID 129191767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).