CID 66818170

C6H8NO2PS — CID 66818170

IUPAC—
SMILESCc1ncsc1CCP(=O)=O
InChIInChI=1S/C6H8NO2PS/c1-5-6(11-4-7-5)2-3-10(8)9/h4H,2-3H2,1H3
InChIKeyVIRYCEIKPBTLJX-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.17
Rot. Bonds3

About CID 66818170

CID 66818170 (PubChem CID 66818170) has the molecular formula C6H8NO2PS and a molecular weight of 189.18 g/mol.

Molecular Properties

Compound NameCID 66818170
PubChem CID66818170
Molecular FormulaC6H8NO2PS
Molecular Weight189.18 g/mol
Exact Mass189.00
IUPAC Name—
SMILESCc1ncsc1CCP(=O)=O
InChIInChI=1S/C6H8NO2PS/c1-5-6(11-4-7-5)2-3-10(8)9/h4H,2-3H2,1H3
InChIKeyVIRYCEIKPBTLJX-UHFFFAOYSA-N
XLogP2.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
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5-(2-iodoethyl)-4-methyl-1,3-thiazole
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2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990

Frequently Asked Questions

What is the IUPAC name of CID 66818170?
The IUPAC name of CID 66818170 (CID 66818170) is not available.
What is the SMILES notation for CID 66818170?
The canonical SMILES for CID 66818170 is Cc1ncsc1CCP(=O)=O.
What is the InChIKey of CID 66818170?
The InChIKey is VIRYCEIKPBTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2PS/c1-5-6(11-4-7-5)2-3-10(8)9/h4H,2-3H2,1H3.
What are the key properties of CID 66818170?
CID 66818170 has a molecular weight of 189.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66818170 is sourced from PubChem (CID 66818170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).