2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine

C11H18ClN3OS — CID 107751046

IUPAC2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCCCCCSc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H18ClN3OS/c1-4-5-6-7-17-11-14-9(12)13-10(15-11)16-8(2)3/h8H,4-7H2,1-3H3
InChIKeyLXARMNRFIYMEAY-UHFFFAOYSA-N
MW275.81 g/mol
LogP3.59
Rot. Bonds7

About 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 107751046) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine
PubChem CID107751046
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCCCCCSc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H18ClN3OS/c1-4-5-6-7-17-11-14-9(12)13-10(15-11)16-8(2)3/h8H,4-7H2,1-3H3
InChIKeyLXARMNRFIYMEAY-UHFFFAOYSA-N
XLogP3.59
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
O-(4-chloro-6-octadecylsulfanyl-1,3,5-triazin-2-yl) 2-butyloctanethioate
CID 175826718
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
8-[(4-chloro-6-decylsulfanyl-1,3,5-triazin-2-yl)sulfanyl]octan-1-ol
CID 164898661
6-[(4-chloro-6-tetradecylsulfanyl-1,3,5-triazin-2-yl)sulfanyl]hexan-1-ol
CID 164898666
2,4-dichloro-6-[(Z)-octadec-9-enyl]sulfanyl-1,3,5-triazine
CID 163547885
ethyl 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 55125151
4-chloro-N-methyl-6-octylsulfanyl-1,3,5-triazin-2-amine
CID 167281206
2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124098
2-chloro-4-methoxy-6-(3-methylbutylsulfanyl)-1,3,5-triazine
CID 107751314
2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine
CID 107751337
4-methoxy-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine (CID 107751046) is 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine is CCCCCSc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is LXARMNRFIYMEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-4-5-6-7-17-11-14-9(12)13-10(15-11)16-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 275.81 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 107751046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).