CID 140659607

C7H13OS — CID 140659607

IUPAC—
SMILES[CH2]C(O)C1CCSCC1
InChIInChI=1S/C7H13OS/c1-6(8)7-2-4-9-5-3-7/h6-8H,1-5H2
InChIKeyFIAIMTHHZZZSFN-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.32
Rot. Bonds1

About CID 140659607

CID 140659607 (PubChem CID 140659607) has the molecular formula C7H13OS and a molecular weight of 145.25 g/mol.

Molecular Properties

Compound NameCID 140659607
PubChem CID140659607
Molecular FormulaC7H13OS
Molecular Weight145.25 g/mol
Exact Mass145.07
IUPAC Name—
SMILES[CH2]C(O)C1CCSCC1
InChIInChI=1S/C7H13OS/c1-6(8)7-2-4-9-5-3-7/h6-8H,1-5H2
InChIKeyFIAIMTHHZZZSFN-UHFFFAOYSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thian-4-yl)ethane-1,2-diol
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1-fluoro-1-(thian-4-yl)propan-2-ol
CID 105437759
1-(thian-4-yl)ethanamine
CID 82417750
4-(1-ethenoxyethyl)thiane
CID 176604130
3-methyl-1-(thian-4-yl)butan-2-ol
CID 105133542
3-cyclopropyl-3-(thian-4-yl)propanoic acid
CID 112709362
[4-(dihydroxymethyl)cyclohexyl]methanediol;formaldehyde
CID 154948838
2-(thian-4-yl)propanal
CID 83905312
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
4,4-difluoro-3-(thian-4-yl)butan-1-amine
CID 115026573
1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102503
4-amino-2-(thian-4-yl)butan-1-ol
CID 115017956

Frequently Asked Questions

What is the IUPAC name of CID 140659607?
The IUPAC name of CID 140659607 (CID 140659607) is not available.
What is the SMILES notation for CID 140659607?
The canonical SMILES for CID 140659607 is [CH2]C(O)C1CCSCC1.
What is the InChIKey of CID 140659607?
The InChIKey is FIAIMTHHZZZSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13OS/c1-6(8)7-2-4-9-5-3-7/h6-8H,1-5H2.
What are the key properties of CID 140659607?
CID 140659607 has a molecular weight of 145.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659607 is sourced from PubChem (CID 140659607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).