2-チオキソ-2,3-ジヒドロチエノ[2,3-D]ピリミジン-4(1H)-オン

2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one

HCID 3603393CAS 117516-97-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1[nH]c(=S)[nH]c2sccc12
InChIKey: SJFBCDCLMGDIRN-UHFFFAOYSA-N
分子式: C6H4N2OS2
平均分子量: 184.2 g/mol
単同位体質量: 183.9765051

名称と識別子

優先名称: 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
IUPAC: 2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
現地名: 2-チオキソ-2,3-ジヒドロチエノ[2,3-D]ピリミジン-4(1H)-オン
英語名: 2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-one
分子式: C6H4N2OS2
分子量: 184.24

名称と別名

2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-oneRefChem:483548855-756-1117516-97-92-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one2-Thioxo-2,3-2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one2-sulfanylthieno[2,3-d]pyrimidin-4-ol2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-onedihydrothieno[2,3-d]pyrimidin-4(1H)-oneMFCD12406128

名称をさらに表示

2-チオキソ-2,3-ジヒドロチエノ[2,3-D]ピリミジン-4(1H)-オン2-Thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-on2,3-Dihydro-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-oneThieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-2-thioxo-

2-Thioxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-oneMFCD03011932A1IR5MLS0007609352-sulfanylidene-1H,3H-thieno[2,3-d]pyrimidin-4-oneF9995-0135SCHEMBL3233768CHEMBL1462635

データベース識別子

CAS: 117516-97-9
PubChem CID: 3603393
DTXSID: DTXSID90394066
ChEMBL: CHEMBL1462635
EC Number: 855-756-1
Nikkaji: J2.961.036C

物性

構造計算による物性

XLogP: 1.1
極性表面積: 101 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 219

物理化学的性質

比重(密度): 1.65 · 1.65
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.