(3R)-3,5-dimethylhexane-2-thione

C8H16S — CID 153298597

IUPAC(3R)-3,5-dimethylhexane-2-thione
SMILESCC(=S)[C@H](C)CC(C)C
InChIInChI=1S/C8H16S/c1-6(2)5-7(3)8(4)9/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyRBBORZVJAZTDMU-SSDOTTSWSA-N
MW144.28 g/mol
LogP3.06
Rot. Bonds3

About (3R)-3,5-dimethylhexane-2-thione

(3R)-3,5-dimethylhexane-2-thione (PubChem CID 153298597) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (3R)-3,5-dimethylhexane-2-thione.

Molecular Properties

Compound Name(3R)-3,5-dimethylhexane-2-thione
PubChem CID153298597
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(3R)-3,5-dimethylhexane-2-thione
SMILESCC(=S)[C@H](C)CC(C)C
InChIInChI=1S/C8H16S/c1-6(2)5-7(3)8(4)9/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyRBBORZVJAZTDMU-SSDOTTSWSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propan-2-yl-2-(prop-1-en-2-ylamino)pentanethioamide
CID 155214517
2,4-dimethylpentane
CID 157050020
(3S)-N,2,5-trimethylhex-1-en-3-amine
CID 88572418
2-(hydroxyamino)-4-methylpentanamide
CID 14584858
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
CID 129049376
2,4-dimethylpentane;methane
CID 159476318
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
CID 175756244
4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 118582646
2-chloro-5-methylhexan-3-ol
CID 116863615

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethylhexane-2-thione?
The IUPAC name of (3R)-3,5-dimethylhexane-2-thione (CID 153298597) is (3R)-3,5-dimethylhexane-2-thione.
What is the SMILES notation for (3R)-3,5-dimethylhexane-2-thione?
The canonical SMILES for (3R)-3,5-dimethylhexane-2-thione is CC(=S)[C@H](C)CC(C)C.
What is the InChIKey of (3R)-3,5-dimethylhexane-2-thione?
The InChIKey is RBBORZVJAZTDMU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16S/c1-6(2)5-7(3)8(4)9/h6-7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of (3R)-3,5-dimethylhexane-2-thione?
(3R)-3,5-dimethylhexane-2-thione has a molecular weight of 144.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dimethylhexane-2-thione is sourced from PubChem (CID 153298597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).