5-phenylsulfanylbenzene-1,2,3,4-tetramine

C12H14N4S — CID 139667343

IUPAC5-phenylsulfanylbenzene-1,2,3,4-tetramine
SMILESNc1cc(Sc2ccccc2)c(N)c(N)c1N
InChIInChI=1S/C12H14N4S/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H,13-16H2
InChIKeyUQLJUSNFCUXKSM-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.17
Rot. Bonds2

About 5-phenylsulfanylbenzene-1,2,3,4-tetramine

5-phenylsulfanylbenzene-1,2,3,4-tetramine (PubChem CID 139667343) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-phenylsulfanylbenzene-1,2,3,4-tetramine.

Molecular Properties

Compound Name5-phenylsulfanylbenzene-1,2,3,4-tetramine
PubChem CID139667343
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name5-phenylsulfanylbenzene-1,2,3,4-tetramine
SMILESNc1cc(Sc2ccccc2)c(N)c(N)c1N
InChIInChI=1S/C12H14N4S/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H,13-16H2
InChIKeyUQLJUSNFCUXKSM-UHFFFAOYSA-N
XLogP2.17
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,5-bis(phenylsulfanyl)aniline
CID 14765109
4-amino-6-phenylsulfanylbenzene-1,3-disulfonamide
CID 121003354
4-phenyl-3-phenylsulfanylaniline
CID 68787885
4-phenylsulfanylnaphthalen-1-amine
CID 21454455
4,8-diamino-1,5-dihydroxy-2,6-bis(phenylsulfanyl)anthracene-9,10-dione
CID 163939420
4-(4-aminophenyl)-2-phenylsulfanylaniline
CID 68786659
3-amino-4-phenylsulfanylbenzoic acid
CID 12590364
5-methyl-3-(4-methylphenyl)sulfanylbenzene-1,2-diamine
CID 142454166
2,4-dinitro-6-phenylsulfanylaniline
CID 11066228
4-amino-3-phenylsulfanylbenzenesulfonamide
CID 82899045
4-chloro-2-nitro-5-phenylsulfanylaniline
CID 13166638
2-(2-aminophenyl)-3-phenylsulfanylaniline
CID 68792613

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanylbenzene-1,2,3,4-tetramine?
The IUPAC name of 5-phenylsulfanylbenzene-1,2,3,4-tetramine (CID 139667343) is 5-phenylsulfanylbenzene-1,2,3,4-tetramine.
What is the SMILES notation for 5-phenylsulfanylbenzene-1,2,3,4-tetramine?
The canonical SMILES for 5-phenylsulfanylbenzene-1,2,3,4-tetramine is Nc1cc(Sc2ccccc2)c(N)c(N)c1N.
What is the InChIKey of 5-phenylsulfanylbenzene-1,2,3,4-tetramine?
The InChIKey is UQLJUSNFCUXKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H,13-16H2.
What are the key properties of 5-phenylsulfanylbenzene-1,2,3,4-tetramine?
5-phenylsulfanylbenzene-1,2,3,4-tetramine has a molecular weight of 246.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanylbenzene-1,2,3,4-tetramine is sourced from PubChem (CID 139667343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).