(2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane

C10H20S2 — CID 134957773

IUPAC(2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane
SMILESCC(C)C[C@H]1SCCC(C)(C)S1
InChIInChI=1S/C10H20S2/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeySSJBEWVYVVLDMI-VIFPVBQESA-N
MW204.40 g/mol
LogP4.01
Rot. Bonds2

About (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane

(2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane (PubChem CID 134957773) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane.

Molecular Properties

Compound Name(2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane
PubChem CID134957773
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name(2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane
SMILESCC(C)C[C@H]1SCCC(C)(C)S1
InChIInChI=1S/C10H20S2/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeySSJBEWVYVVLDMI-VIFPVBQESA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Triethyl-1,3,5-trithiane
CID 12487714
Butane, 1,1'-thiobis[3-methyl-
CID 10990
7-Methyl-4-thiaoctane
CID 525509
3,5-Bis(2-methylpropyl)-1,2,4-trithiolane
CID 21773712
Butane, 3-methyl-1,1-bis(methylthio)-
CID 166365
3-Ethyl-5-(2-methylpropyl)-1,2,4-trithiolane
CID 21773706
3-(2-Methylpropyl)-5-propan-2-yl-1,2,4-trithiolane
CID 21773711
2-Isopropyl-1,3-dithiane
CID 637973
2-Tert-butyl-1,3-dithiane
CID 637974
1,3-Dithiolane, 2,4-dimethyl-2-isopropyl-
CID 59216
2,4,6-Tris(3-methylbutyl)-1,3,5-trithiane
CID 11198864
(3R,5S)-3,5-Bis(2-methylpropyl)-1,2,4-trithiolane
CID 53471922

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane?
The IUPAC name of (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane (CID 134957773) is (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane.
What is the SMILES notation for (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane?
The canonical SMILES for (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane is CC(C)C[C@H]1SCCC(C)(C)S1.
What is the InChIKey of (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane?
The InChIKey is SSJBEWVYVVLDMI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20S2/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane?
(2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane has a molecular weight of 204.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-dimethyl-2-(2-methylpropyl)-1,3-dithiane is sourced from PubChem (CID 134957773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).