About 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 161202136) has the molecular formula C142H260N24O28S2
and a molecular weight of 2815.92 g/mol. Its IUPAC name is 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
Frequently Asked Questions
What is the IUPAC name of 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The IUPAC name of 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 161202136) is 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
What is the SMILES notation for 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The canonical SMILES for 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CSCCN(CC)CC)C(=O)N(C)[C@@H](CC(C)(C)OCOC)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C.C=C1C(=O)N(C)[C@@H](CC(C)(C)OCOC)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N1C.CCN(CC)CCS.
What is the InChIKey of 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The InChIKey is UVCUBZWXNPAFHY-BRZFYDNOSA-N. The full InChI is InChI=1S/C71H130N12O14S.C65H115N11O14.C6H15NS/c1-28-32-33-47(15)59(84)58-63(88)74-50(29-2)65(90)80(24)55(40-98-35-34-83(30-3)31-4)68(93)79(23)54(39-71(18,19)97-41-96-27)62(87)75-56(45(11)12)69(94)76(20)51(36-42(5)6)61(86)72-48(16)60(85)73-49(17)64(89)77(21)52(37-43(7)8)66(91)78(22)53(38-44(9)10)67(92)81(25)57(46(13)14)70(95)82(58)26;1-27-29-30-41(13)53(77)52-57(81)68-45(28-2)60(84)70(19)44(16)59(83)74(23)49(34-65(17,18)90-35-89-26)56(80)69-50(39(9)10)63(87)71(20)46(31-36(3)4)55(79)66-42(14)54(78)67-43(15)58(82)72(21)47(32-37(5)6)61(85)73(22)48(33-38(7)8)62(86)75(24)51(40(11)12)64(88)76(52)25;1-3-7(4-2)5-6-8/h28,32,42-59,84H,29-31,33-41H2,1-27H3,(H,72,86)(H,73,85)(H,74,88)(H,75,87);27,29,36-43,45-53,77H,16,28,30-35H2,1-15,17-26H3,(H,66,79)(H,67,78)(H,68,81)(H,69,80);8H,3-6H2,1-2H3/b32-28+;29-27+;/t47-,48+,49-,50+,51+,52+,53+,54+,55-,56+,57+,58+,59-;41-,42+,43-,45+,46+,47+,48+,49+,50+,51+,52+,53-;/m11./s1.
What are the key properties of 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 2815.92 g/mol, XLogP of 9.24, 47 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethanethiol;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-[2-(diethylamino)ethylsulfanylmethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[2-(methoxymethoxy)-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 161202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).