4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline

C19H15Cl8NS3 — CID 135291836

IUPAC4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline
SMILESCS(Cl)(Cl)c1ccc(N(c2ccc(S(Cl)(Cl)Cl)cc2)c2ccc(S(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C19H15Cl8NS3/c1-29(20,21)17-8-2-14(3-9-17)28(15-4-10-18(11-5-15)30(22,23)24)16-6-12-19(13-7-16)31(25,26)27/h2-13H,1H3
InChIKeyFQUXCMYCCPVZME-UHFFFAOYSA-N
MW637.16 g/mol
LogP12.51
Rot. Bonds6

About 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline

4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline (PubChem CID 135291836) has the molecular formula C19H15Cl8NS3 and a molecular weight of 637.16 g/mol. Its IUPAC name is 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline.

Molecular Properties

Compound Name4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline
PubChem CID135291836
Molecular FormulaC19H15Cl8NS3
Molecular Weight637.16 g/mol
Exact Mass632.79
IUPAC Name4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline
SMILESCS(Cl)(Cl)c1ccc(N(c2ccc(S(Cl)(Cl)Cl)cc2)c2ccc(S(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C19H15Cl8NS3/c1-29(20,21)17-8-2-14(3-9-17)28(15-4-10-18(11-5-15)30(22,23)24)16-6-12-19(13-7-16)31(25,26)27/h2-13H,1H3
InChIKeyFQUXCMYCCPVZME-UHFFFAOYSA-N
XLogP12.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.16
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline?
The IUPAC name of 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline (CID 135291836) is 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline.
What is the SMILES notation for 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline?
The canonical SMILES for 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline is CS(Cl)(Cl)c1ccc(N(c2ccc(S(Cl)(Cl)Cl)cc2)c2ccc(S(Cl)(Cl)Cl)cc2)cc1.
What is the InChIKey of 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline?
The InChIKey is FQUXCMYCCPVZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl8NS3/c1-29(20,21)17-8-2-14(3-9-17)28(15-4-10-18(11-5-15)30(22,23)24)16-6-12-19(13-7-16)31(25,26)27/h2-13H,1H3.
What are the key properties of 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline?
4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline has a molecular weight of 637.16 g/mol, XLogP of 12.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dichloro(methyl)-λ4-sulfanyl]-N,N-bis[4-(trichloro-λ4-sulfanyl)phenyl]aniline is sourced from PubChem (CID 135291836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).