2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine

C10H7ClN4O3S — CID 62858855

IUPAC2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H7ClN4O3S/c1-18-9-12-8(11)13-10(14-9)19-7-4-2-6(3-5-7)15(16)17/h2-5H,1H3
InChIKeyCENILILBBOPUSW-UHFFFAOYSA-N
MW298.71 g/mol
LogP2.59
Rot. Bonds4

About 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine

2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine (PubChem CID 62858855) has the molecular formula C10H7ClN4O3S and a molecular weight of 298.71 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine
PubChem CID62858855
Molecular FormulaC10H7ClN4O3S
Molecular Weight298.71 g/mol
Exact Mass297.99
IUPAC Name2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C10H7ClN4O3S/c1-18-9-12-8(11)13-10(14-9)19-7-4-2-6(3-5-7)15(16)17/h2-5H,1H3
InChIKeyCENILILBBOPUSW-UHFFFAOYSA-N
XLogP2.59
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 52.59
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-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
CID 63238267
4,6-dimethoxy-5-(4-nitrophenyl)sulfanylpyrimidin-2-amine
CID 4963058
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine
CID 63698168
2,6-dibromo-4-(4-nitrophenyl)sulfanylpyridine
CID 10883644
2-chloro-4-(4-nitrophenyl)sulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563010
2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine
CID 138975635
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
2-bromo-1-(4-methoxyphenyl)sulfanyl-4-nitrobenzene
CID 91878905
1-(4-chlorophenyl)sulfanyl-2-methoxy-4-nitrobenzene
CID 91876614
3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
CID 102761369
2-iodo-1-methoxy-4-(4-nitrophenyl)sulfanylbenzene
CID 91878929

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine (CID 62858855) is 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine is COc1nc(Cl)nc(Sc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine?
The InChIKey is CENILILBBOPUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3S/c1-18-9-12-8(11)13-10(14-9)19-7-4-2-6(3-5-7)15(16)17/h2-5H,1H3.
What are the key properties of 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine?
2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine has a molecular weight of 298.71 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 62858855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).