1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione

C13H18Cl2N2O2S2 — CID 88532792

IUPAC1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione
SMILESCN1CSC(=S)N(C)C1.COc1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C8H8Cl2O2.C5H10N2S2/c1-11-7-3-6(10)8(12-2)4-5(7)9;1-6-3-7(2)5(8)9-4-6/h3-4H,1-2H3;3-4H2,1-2H3
InChIKeyUPCWPPJSCVOAPN-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.81
Rot. Bonds2

About 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione

1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione (PubChem CID 88532792) has the molecular formula C13H18Cl2N2O2S2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione.

Molecular Properties

Compound Name1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione
PubChem CID88532792
Molecular FormulaC13H18Cl2N2O2S2
Molecular Weight369.34 g/mol
Exact Mass368.02
IUPAC Name1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione
SMILESCN1CSC(=S)N(C)C1.COc1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C8H8Cl2O2.C5H10N2S2/c1-11-7-3-6(10)8(12-2)4-5(7)9;1-6-3-7(2)5(8)9-4-6/h3-4H,1-2H3;3-4H2,1-2H3
InChIKeyUPCWPPJSCVOAPN-UHFFFAOYSA-N
XLogP3.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 82283226
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CID 71132798
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
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6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene
CID 171787914

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione?
The IUPAC name of 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione (CID 88532792) is 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione.
What is the SMILES notation for 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione?
The canonical SMILES for 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione is CN1CSC(=S)N(C)C1.COc1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione?
The InChIKey is UPCWPPJSCVOAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2.C5H10N2S2/c1-11-7-3-6(10)8(12-2)4-5(7)9;1-6-3-7(2)5(8)9-4-6/h3-4H,1-2H3;3-4H2,1-2H3.
What are the key properties of 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione?
1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione has a molecular weight of 369.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione is sourced from PubChem (CID 88532792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).