2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol

C91H94N4S5 — CID 165035604

About 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol

2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol (PubChem CID 165035604) has the molecular formula C91H94N4S5 and a molecular weight of 1404.12 g/mol. Its IUPAC name is 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol.

Molecular Properties

• Compound Name: 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol
• PubChem CID: 165035604
• Molecular Formula: C91H94N4S5
• Molecular Weight: 1404.12 g/mol
• Exact Mass: 1402.61
• IUPAC Name: 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol
• SMILES: C=CCc1ccc(-n2c3ccc(CCS)cc3c3cc(CCS)ccc32)cc1.C=CCc1ccc2c(c1)c1cc(CC=C)ccc1n2-c1ccc(CCS)cc1.C=CCc1ccc2c(c1)c1cc(CC=C)ccc1n2CCS.C=CCn1c2ccc(CCC)cc2c2cc(CCS)ccc21
• InChI: InChI=1S/C26H25NS.C25H25NS2.C20H23NS.C20H21NS/c1-3-5-20-9-13-25-23(17-20)24-18-21(6-4-2)10-14-26(24)27(25)22-11-7-19(8-12-22)15-16-28;1-2-3-18-4-8-21(9-5-18)26-24-10-6-19(12-14-27)16-22(24)23-17-20(13-15-28)7-11-25(23)26;1-3-5-15-6-8-19-17(13-15)18-14-16(10-12-22)7-9-20(18)21(19)11-4-2;1-3-5-15-7-9-19-17(13-15)18-14-16(6-4-2)8-10-20(18)21(19)11-12-22/h3-4,7-14,17-18,28H,1-2,5-6,15-16H2;2,4-11,16-17,27-28H,1,3,12-15H2;4,6-9,13-14,22H,2-3,5,10-12H2,1H3;3-4,7-10,13-14,22H,1-2,5-6,11-12H2
• InChIKey: NIHHSYKXZCJVAS-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 19.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 26
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1404.12
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol?

The IUPAC name of 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol (CID 165035604) is 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol.

What is the SMILES notation for 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol?

The canonical SMILES for 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol is C=CCc1ccc(-n2c3ccc(CCS)cc3c3cc(CCS)ccc32)cc1.C=CCc1ccc2c(c1)c1cc(CC=C)ccc1n2-c1ccc(CCS)cc1.C=CCc1ccc2c(c1)c1cc(CC=C)ccc1n2CCS.C=CCn1c2ccc(CCC)cc2c2cc(CCS)ccc21.

What is the InChIKey of 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol?

The InChIKey is NIHHSYKXZCJVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NS.C25H25NS2.C20H23NS.C20H21NS/c1-3-5-20-9-13-25-23(17-20)24-18-21(6-4-2)10-14-26(24)27(25)22-11-7-19(8-12-22)15-16-28;1-2-3-18-4-8-21(9-5-18)26-24-10-6-19(12-14-27)16-22(24)23-17-20(13-15-28)7-11-25(23)26;1-3-5-15-6-8-19-17(13-15)18-14-16(10-12-22)7-9-20(18)21(19)11-4-2;1-3-5-15-7-9-19-17(13-15)18-14-16(6-4-2)8-10-20(18)21(19)11-12-22/h3-4,7-14,17-18,28H,1-2,5-6,15-16H2;2,4-11,16-17,27-28H,1,3,12-15H2;4,6-9,13-14,22H,2-3,5,10-12H2,1H3;3-4,7-10,13-14,22H,1-2,5-6,11-12H2.

What are the key properties of 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol?

2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol has a molecular weight of 1404.12 g/mol, XLogP of 23.76, 26 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-bis(prop-2-enyl)carbazol-9-yl]ethanethiol;2-[4-[3,6-bis(prop-2-enyl)carbazol-9-yl]phenyl]ethanethiol;2-[9-(4-prop-2-enylphenyl)-6-(2-sulfanylethyl)carbazol-3-yl]ethanethiol;2-(9-prop-2-enyl-6-propylcarbazol-3-yl)ethanethiol is sourced from PubChem (CID 165035604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).