benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea

C25H23N3S3 — CID 174812629

IUPACbenzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea
SMILESNC(N)=S.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccccc1
InChIInChI=1S/C12H9N.C6H4S2.C6H6.CH4N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-6-2-4-8-5(1)6;1-2-4-6-5-3-1;2-1(3)4/h1-8,13H;1-4H;1-6H;(H4,2,3,4)
InChIKeyGIFOGHGBIUQRKK-UHFFFAOYSA-N
MW461.68 g/mol
LogP7.16
Rot. Bonds

About benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea

benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea (PubChem CID 174812629) has the molecular formula C25H23N3S3 and a molecular weight of 461.68 g/mol. Its IUPAC name is benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea.

Molecular Properties

Compound Namebenzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea
PubChem CID174812629
Molecular FormulaC25H23N3S3
Molecular Weight461.68 g/mol
Exact Mass461.11
IUPAC Namebenzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea
SMILESNC(N)=S.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccccc1
InChIInChI=1S/C12H9N.C6H4S2.C6H6.CH4N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-6-2-4-8-5(1)6;1-2-4-6-5-3-1;2-1(3)4/h1-8,13H;1-4H;1-6H;(H4,2,3,4)
InChIKeyGIFOGHGBIUQRKK-UHFFFAOYSA-N
XLogP7.16
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.68
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazole
CID 66668984
9H-carbazole;carbonic acid
CID 67577328
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
9H-carbazole;thiophen-2-ol
CID 154941484
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
thiourea;triphenylene
CID 134360806
9H-carbazole;prop-2-enamide
CID 174545742
bromomethane;9H-carbazole
CID 67594562
9H-carbazole;methanedithioic acid
CID 158299126
11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
CID 163979264

Frequently Asked Questions

What is the IUPAC name of benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea?
The IUPAC name of benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea (CID 174812629) is benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea.
What is the SMILES notation for benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea?
The canonical SMILES for benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea is NC(N)=S.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccccc1.
What is the InChIKey of benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea?
The InChIKey is GIFOGHGBIUQRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C6H4S2.C6H6.CH4N2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-6-2-4-8-5(1)6;1-2-4-6-5-3-1;2-1(3)4/h1-8,13H;1-4H;1-6H;(H4,2,3,4).
What are the key properties of benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea?
benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea has a molecular weight of 461.68 g/mol, XLogP of 7.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9H-carbazole;thieno[3,2-b]thiophene;thiourea is sourced from PubChem (CID 174812629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).