(carbazole-9-carbothioylamino)thiourea

C14H12N4S2 — CID 11702166

IUPAC(carbazole-9-carbothioylamino)thiourea
SMILESNC(=S)NNC(=S)n1c2ccccc2c2ccccc21
InChIInChI=1S/C14H12N4S2/c15-13(19)16-17-14(20)18-11-7-3-1-5-9(11)10-6-2-4-8-12(10)18/h1-8H,(H,17,20)(H3,15,16,19)
InChIKeyJDOQGCKLXVYFSH-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.27
Rot. Bonds

About (carbazole-9-carbothioylamino)thiourea

(carbazole-9-carbothioylamino)thiourea (PubChem CID 11702166) has the molecular formula C14H12N4S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (carbazole-9-carbothioylamino)thiourea.

Molecular Properties

Compound Name(carbazole-9-carbothioylamino)thiourea
PubChem CID11702166
Molecular FormulaC14H12N4S2
Molecular Weight300.41 g/mol
Exact Mass300.05
IUPAC Name(carbazole-9-carbothioylamino)thiourea
SMILESNC(=S)NNC(=S)n1c2ccccc2c2ccccc21
InChIInChI=1S/C14H12N4S2/c15-13(19)16-17-14(20)18-11-7-3-1-5-9(11)10-6-2-4-8-12(10)18/h1-8H,(H,17,20)(H3,15,16,19)
InChIKeyJDOQGCKLXVYFSH-UHFFFAOYSA-N
XLogP2.27
TPSA55.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbazole-1,9-dicarboxamide
CID 141418559
thiourea;triphenylene
CID 134360806
9-[(Z)-1,2-dichloroethenyl]carbazole
CID 14091406
2-[(carbamothioylamino)carbamoyl]benzamide
CID 15536924
carbazole-9-carbonyl fluoride
CID 45082000
[[2-chloro-1-(2-chlorobenzoyl)indol-3-yl]methylideneamino]thiourea
CID 3331021
1-carbazol-9-ylethanone;ethane
CID 142183368
3-(2-carbamoylphenyl)indole-1,2-dicarboxamide
CID 123735466
S-(carbazole-9-carbothioyl) benzenecarbothioate
CID 146297922
1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308

Frequently Asked Questions

What is the IUPAC name of (carbazole-9-carbothioylamino)thiourea?
The IUPAC name of (carbazole-9-carbothioylamino)thiourea (CID 11702166) is (carbazole-9-carbothioylamino)thiourea.
What is the SMILES notation for (carbazole-9-carbothioylamino)thiourea?
The canonical SMILES for (carbazole-9-carbothioylamino)thiourea is NC(=S)NNC(=S)n1c2ccccc2c2ccccc21.
What is the InChIKey of (carbazole-9-carbothioylamino)thiourea?
The InChIKey is JDOQGCKLXVYFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S2/c15-13(19)16-17-14(20)18-11-7-3-1-5-9(11)10-6-2-4-8-12(10)18/h1-8H,(H,17,20)(H3,15,16,19).
What are the key properties of (carbazole-9-carbothioylamino)thiourea?
(carbazole-9-carbothioylamino)thiourea has a molecular weight of 300.41 g/mol, XLogP of 2.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carbazole-9-carbothioylamino)thiourea is sourced from PubChem (CID 11702166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).