1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C19H21Br2NOS — CID 2874780

IUPAC1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCC(C)(C)SCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H21Br2NOS/c1-19(2,3)24-11-14(23)10-22-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)22/h4-9,14,23H,10-11H2,1-3H3
InChIKeyPLATWQHIHRSRIB-UHFFFAOYSA-N
MW471.26 g/mol
LogP6.21
Rot. Bonds4

About 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 2874780) has the molecular formula C19H21Br2NOS and a molecular weight of 471.26 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID2874780
Molecular FormulaC19H21Br2NOS
Molecular Weight471.26 g/mol
Exact Mass468.97
IUPAC Name1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCC(C)(C)SCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H21Br2NOS/c1-19(2,3)24-11-14(23)10-22-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)22/h4-9,14,23H,10-11H2,1-3H3
InChIKeyPLATWQHIHRSRIB-UHFFFAOYSA-N
XLogP6.21
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.26
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 2874780) is 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is CC(C)(C)SCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is PLATWQHIHRSRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2NOS/c1-19(2,3)24-11-14(23)10-22-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)22/h4-9,14,23H,10-11H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 471.26 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2874780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).