4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine

C11H10ClN5O2S — CID 62865447

IUPAC4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10ClN5O2S/c1-16(2)10-13-9(12)14-11(15-10)20-8-6-4-3-5-7(8)17(18)19/h3-6H,1-2H3
InChIKeyDPOJDMPMJPESOA-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 62865447) has the molecular formula C11H10ClN5O2S and a molecular weight of 311.75 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID62865447
Molecular FormulaC11H10ClN5O2S
Molecular Weight311.75 g/mol
Exact Mass311.02
IUPAC Name4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10ClN5O2S/c1-16(2)10-13-9(12)14-11(15-10)20-8-6-4-3-5-7(8)17(18)19/h3-6H,1-2H3
InChIKeyDPOJDMPMJPESOA-UHFFFAOYSA-N
XLogP2.65
TPSA85.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-6-(2-nitrophenyl)sulfanylpyrimidine
CID 62480994
4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62867894
4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63402476
4-chloro-6-(2-chlorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine
CID 63402083
3-chloro-4-(2-nitrophenyl)sulfanyl-1,2,5-thiadiazole
CID 43808370
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
CID 55240820
1-nitro-2-(4-propan-2-ylphenyl)sulfanylbenzene
CID 59410267
4-chloro-2-(2-nitrophenyl)sulfanylbenzoic acid
CID 63083195
1-[3-chloro-4-(2-nitrophenyl)sulfanylphenyl]ethanone
CID 62910973
4-chloro-6-(2-nitrophenyl)sulfanyl-5-propan-2-ylpyrimidine
CID 63731231
1-tert-butylsulfanyl-2-nitrobenzene
CID 15655967
3-chloro-4-(2-nitrophenyl)sulfanylbenzoic acid
CID 63089661

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine (CID 62865447) is 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Sc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is DPOJDMPMJPESOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2S/c1-16(2)10-13-9(12)14-11(15-10)20-8-6-4-3-5-7(8)17(18)19/h3-6H,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 311.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(2-nitrophenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).