About CID 140520813
CID 140520813 (PubChem CID 140520813) has the molecular formula H2S248
and a molecular weight of 7954.63 g/mol.
Molecular Properties
| Compound Name | CID 140520813 |
|---|
| PubChem CID | 140520813 |
|---|
| Molecular Formula | H2S248 |
|---|
| Molecular Weight | 7954.63 g/mol |
|---|
| Exact Mass | 7931.09 |
|---|
| IUPAC Name | — |
|---|
| SMILES | SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS |
|---|
| InChI | InChI=1S/H2S248/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-183-185-187-189-191-193-195-197-199-201-203-205-207-209-211-213-215-217-219-221-223-225-227-229-231-233-235-237-239-241-243-245-247-248-246-244-242-240-238-236-234-232-230-228-226-224-222-220-218-216-214-212-210-208-206-204-202-200-198-196-194-192-190-188-186-184-182-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H |
|---|
| InChIKey | QLPJCWFAKHNKCP-UHFFFAOYSA-N |
|---|
| XLogP | 160.22 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 248 |
|---|
| Rotatable Bonds | 245 |
|---|
| Heavy Atoms | 248 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 7954.63 |
| LogP ≤ 5 | 160.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 248 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
|---|
Analyze CID 140520813 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of CID 140520813?
The IUPAC name of CID 140520813 (CID 140520813) is not available.
What is the SMILES notation for CID 140520813?
The canonical SMILES for CID 140520813 is SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS.
What is the InChIKey of CID 140520813?
The InChIKey is QLPJCWFAKHNKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/H2S248/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-183-185-187-189-191-193-195-197-199-201-203-205-207-209-211-213-215-217-219-221-223-225-227-229-231-233-235-237-239-241-243-245-247-248-246-244-242-240-238-236-234-232-230-228-226-224-222-220-218-216-214-212-210-208-206-204-202-200-198-196-194-192-190-188-186-184-182-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H.
What are the key properties of CID 140520813?
CID 140520813 has a molecular weight of 7954.63 g/mol, XLogP of 160.22, 245 rotatable bonds, 2 hydrogen bond donors, and 248 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140520813 is sourced from PubChem (CID 140520813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).