(6S)-3-methylnonane-3,6-dithiol

C10H22S2 — CID 139372647

IUPAC(6S)-3-methylnonane-3,6-dithiol
SMILESCCC[C@H](S)CCC(C)(S)CC
InChIInChI=1S/C10H22S2/c1-4-6-9(11)7-8-10(3,12)5-2/h9,11-12H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyGOUZZWPLIURKDZ-RGURZIINSA-N
MW206.42 g/mol
LogP3.96
Rot. Bonds6

About (6S)-3-methylnonane-3,6-dithiol

(6S)-3-methylnonane-3,6-dithiol (PubChem CID 139372647) has the molecular formula C10H22S2 and a molecular weight of 206.42 g/mol. Its IUPAC name is (6S)-3-methylnonane-3,6-dithiol.

Molecular Properties

Compound Name(6S)-3-methylnonane-3,6-dithiol
PubChem CID139372647
Molecular FormulaC10H22S2
Molecular Weight206.42 g/mol
Exact Mass206.12
IUPAC Name(6S)-3-methylnonane-3,6-dithiol
SMILESCCC[C@H](S)CCC(C)(S)CC
InChIInChI=1S/C10H22S2/c1-4-6-9(11)7-8-10(3,12)5-2/h9,11-12H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyGOUZZWPLIURKDZ-RGURZIINSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S)-3-methylnonane-3,6-dithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptane-4-thiol
CID 12627260
3-methylnonane-3-thiol
CID 170848773
6,6-dimethyloctane-3-thiol
CID 166858494
1-(18F)fluoropentane-2-thiol
CID 11701036
5,5-dimethyloctane-4-thiol
CID 175152485
nonane-2,6-dithiol
CID 20551714
1-(propylamino)hexane-3-thiol
CID 142660099
bis(2,2-dimethylpentane);methane
CID 159859974
heptane-1,2,4-trithiol
CID 175079470
(4S,6S)-2,4,6-trimethylnonane-4-thiol
CID 92951034
4,4,6-trimethylnonane-5-thiol
CID 166952501
disodium;bis(heptane-4-thiol);4-(heptan-4-yldisulfanyl)heptane;methane;bromate;bromide;trihydrate
CID 161136750

Frequently Asked Questions

What is the IUPAC name of (6S)-3-methylnonane-3,6-dithiol?
The IUPAC name of (6S)-3-methylnonane-3,6-dithiol (CID 139372647) is (6S)-3-methylnonane-3,6-dithiol.
What is the SMILES notation for (6S)-3-methylnonane-3,6-dithiol?
The canonical SMILES for (6S)-3-methylnonane-3,6-dithiol is CCC[C@H](S)CCC(C)(S)CC.
What is the InChIKey of (6S)-3-methylnonane-3,6-dithiol?
The InChIKey is GOUZZWPLIURKDZ-RGURZIINSA-N. The full InChI is InChI=1S/C10H22S2/c1-4-6-9(11)7-8-10(3,12)5-2/h9,11-12H,4-8H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (6S)-3-methylnonane-3,6-dithiol?
(6S)-3-methylnonane-3,6-dithiol has a molecular weight of 206.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methylnonane-3,6-dithiol is sourced from PubChem (CID 139372647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).