N-(1,3-dithiol-4-ylmethyl)acetamide

C6H9NOS2 — CID 141390228

IUPACN-(1,3-dithiol-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CSCS1
InChIInChI=1S/C6H9NOS2/c1-5(8)7-2-6-3-9-4-10-6/h3H,2,4H2,1H3,(H,7,8)
InChIKeyKHTWTCSYJOTTAQ-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.40
Rot. Bonds2

About N-(1,3-dithiol-4-ylmethyl)acetamide

N-(1,3-dithiol-4-ylmethyl)acetamide (PubChem CID 141390228) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(1,3-dithiol-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dithiol-4-ylmethyl)acetamide
PubChem CID141390228
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC NameN-(1,3-dithiol-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CSCS1
InChIInChI=1S/C6H9NOS2/c1-5(8)7-2-6-3-9-4-10-6/h3H,2,4H2,1H3,(H,7,8)
InChIKeyKHTWTCSYJOTTAQ-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dithiol-4-ylmethyl)acetamide?
The IUPAC name of N-(1,3-dithiol-4-ylmethyl)acetamide (CID 141390228) is N-(1,3-dithiol-4-ylmethyl)acetamide.
What is the SMILES notation for N-(1,3-dithiol-4-ylmethyl)acetamide?
The canonical SMILES for N-(1,3-dithiol-4-ylmethyl)acetamide is CC(=O)NCC1=CSCS1.
What is the InChIKey of N-(1,3-dithiol-4-ylmethyl)acetamide?
The InChIKey is KHTWTCSYJOTTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-5(8)7-2-6-3-9-4-10-6/h3H,2,4H2,1H3,(H,7,8).
What are the key properties of N-(1,3-dithiol-4-ylmethyl)acetamide?
N-(1,3-dithiol-4-ylmethyl)acetamide has a molecular weight of 175.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dithiol-4-ylmethyl)acetamide is sourced from PubChem (CID 141390228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).