BENZO[B]THIOPHENE-7-ACETIC ACID, 3-(2-THIENYL)-
CAS No.:41461-67-0
Thiophene, 2,2'-(6,13-pentacenediyl)bis[5-hexyl-
CAS No.:922508-51-8
Thieno[3,4-b]thiophene, 6-(3-thienyl)-
CAS No.:220338-10-3
2,3'-BITHIOPHENE, 5-DODECYL-
CAS No.:916910-69-5
Inchi | 1S/C38H40S6.6CH3.2Sn/c1-5-9-11-23(7-3)17-25-19-29-31(41-25)21-33(43-29)35-27-13-15-40-38(27)36(28-14-16-39-37(28)35)34-22-32-30(44-34)20-26(42-32)18-24(8-4)12-10-6-2;;;;;;;;/h13-14,19-24H,5-12,17-18H2,1-4H3;6*1H3;; |
InChIKey | OBJGKIDTANNASL-UHFFFAOYSA-N |
SMILES | [Sn](C([H])([H])[H])(C([H])([H])[H])(C([H])([H])[H])C1=C([H])C2=C(C(C3=C([H])C4=C(C([H])=C(C([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])S4)S3)=C3C([H])=C(SC3=C2C2=C([H])C3=C(C([H])=C(C([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])S3)S2)[Sn](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])S1 |
氫鍵供體數(shù)量 | 0 |
氫鍵受體數(shù)量 | 6 |
重原子數(shù)量 | 52 |
可旋轉(zhuǎn)化學(xué)鍵數(shù)量 | 16 |
復(fù)雜度 | 1070 |
拓撲分子極性表面積 | 169 |
符號: | GHS06 GHS09 |
提示語 | 危險 |
危害聲明: | H300+H310+H330-H410 |
警示性聲明: | P260-P262-P264-P270-P271-P273-P280-P284-P301+P310+P330-P302+P352+P310+P361+P364-P304+P340+P310-P391-P403+P233-P405-P501 |
PackingGroup | I |
BENZO[B]THIOPHENE-7-ACETIC ACID, 3-(2-THIENYL)-
CAS No.:41461-67-0
Thiophene, 2,2'-(6,13-pentacenediyl)bis[5-hexyl-
CAS No.:922508-51-8
Thieno[3,4-b]thiophene, 6-(3-thienyl)-
CAS No.:220338-10-3
2,3'-BITHIOPHENE, 5-DODECYL-
CAS No.:916910-69-5
Inchi | 1S/C38H40S6.6CH3.2Sn/c1-5-9-11-23(7-3)17-25-19-29-31(41-25)21-33(43-29)35-27-13-15-40-38(27)36(28-14-16-39-37(28)35)34-22-32-30(44-34)20-26(42-32)18-24(8-4)12-10-6-2;;;;;;;;/h13-14,19-24H,5-12,17-18H2,1-4H3;6*1H3;; |
InChIKey | OBJGKIDTANNASL-UHFFFAOYSA-N |
SMILES | [Sn](C([H])([H])[H])(C([H])([H])[H])(C([H])([H])[H])C1=C([H])C2=C(C(C3=C([H])C4=C(C([H])=C(C([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])S4)S3)=C3C([H])=C(SC3=C2C2=C([H])C3=C(C([H])=C(C([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])S3)S2)[Sn](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])S1 |
氫鍵供體數(shù)量 | 0 |
氫鍵受體數(shù)量 | 6 |
重原子數(shù)量 | 52 |
可旋轉(zhuǎn)化學(xué)鍵數(shù)量 | 16 |
復(fù)雜度 | 1070 |
拓撲分子極性表面積 | 169 |
符號: | GHS06 GHS09 |
提示語 | 危險 |
危害聲明: | H300+H310+H330-H410 |
警示性聲明: | P260-P262-P264-P270-P271-P273-P280-P284-P301+P310+P330-P302+P352+P310+P361+P364-P304+P340+P310-P391-P403+P233-P405-P501 |
PackingGroup | I |