6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C10H11ClN6S — CID 43305266

IUPAC6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ccc(SCc2nc(N)nc(N)n2)c(Cl)c1
InChIInChI=1S/C10H11ClN6S/c11-6-3-5(12)1-2-7(6)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4,12H2,(H4,13,14,15,16,17)
InChIKeyFWNSBGGICAYBIJ-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.56
Rot. Bonds3

About 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 43305266) has the molecular formula C10H11ClN6S and a molecular weight of 282.76 g/mol. Its IUPAC name is 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID43305266
Molecular FormulaC10H11ClN6S
Molecular Weight282.76 g/mol
Exact Mass282.05
IUPAC Name6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ccc(SCc2nc(N)nc(N)n2)c(Cl)c1
InChIInChI=1S/C10H11ClN6S/c11-6-3-5(12)1-2-7(6)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4,12H2,(H4,13,14,15,16,17)
InChIKeyFWNSBGGICAYBIJ-UHFFFAOYSA-N
XLogP1.56
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 43305480
3-chloro-4-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]aniline
CID 80606339
4-[(3-aminophenyl)methylsulfanyl]-3-chloroaniline
CID 113274190
3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
3-chloro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43305481
3-chloro-4-[(5-chloropyrazin-2-yl)methylsulfanyl]aniline
CID 103054963
3-(4-amino-2-chlorophenyl)sulfanylpropan-1-ol
CID 43305115
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 43305486
6-[(4-amino-2-chlorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903508
4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66153350
4-(4-amino-2-chlorophenyl)sulfanylbutanenitrile
CID 43305535
5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
CID 62229037

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 43305266) is 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Nc1ccc(SCc2nc(N)nc(N)n2)c(Cl)c1.
What is the InChIKey of 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FWNSBGGICAYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6S/c11-6-3-5(12)1-2-7(6)18-4-8-15-9(13)17-10(14)16-8/h1-3H,4,12H2,(H4,13,14,15,16,17).
What are the key properties of 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 282.76 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-2-chlorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 43305266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).