1,4-dichloro-2-methoxy-5-methylsulfanylbenzene

C8H8Cl2OS — CID 164892037

IUPAC1,4-dichloro-2-methoxy-5-methylsulfanylbenzene
SMILESCOc1cc(Cl)c(SC)cc1Cl
InChIInChI=1S/C8H8Cl2OS/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKeyBIXRHQUIRYOLTD-UHFFFAOYSA-N
MW223.12 g/mol
LogP3.72
Rot. Bonds2

About 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene

1,4-dichloro-2-methoxy-5-methylsulfanylbenzene (PubChem CID 164892037) has the molecular formula C8H8Cl2OS and a molecular weight of 223.12 g/mol. Its IUPAC name is 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-methoxy-5-methylsulfanylbenzene
PubChem CID164892037
Molecular FormulaC8H8Cl2OS
Molecular Weight223.12 g/mol
Exact Mass221.97
IUPAC Name1,4-dichloro-2-methoxy-5-methylsulfanylbenzene
SMILESCOc1cc(Cl)c(SC)cc1Cl
InChIInChI=1S/C8H8Cl2OS/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKeyBIXRHQUIRYOLTD-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene 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

(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
CID 172620902
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene
CID 86189494
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116914633
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
CID 164895356
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene?
The IUPAC name of 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene (CID 164892037) is 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene.
What is the SMILES notation for 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene?
The canonical SMILES for 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene is COc1cc(Cl)c(SC)cc1Cl.
What is the InChIKey of 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene?
The InChIKey is BIXRHQUIRYOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2OS/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3.
What are the key properties of 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene?
1,4-dichloro-2-methoxy-5-methylsulfanylbenzene has a molecular weight of 223.12 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-methoxy-5-methylsulfanylbenzene is sourced from PubChem (CID 164892037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).