2-티옥소-2,3-디히드로티에노[2,3-d]피리미딘-4(1H)-온

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

HCID 3603393CAS 117516-97-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1[nH]c(=S)[nH]c2sccc12
InChIKey: SJFBCDCLMGDIRN-UHFFFAOYSA-N
분자식: C6H4N2OS2
평균 분자량: 184.2 g/mol
단동위원소 질량: 183.9765051

이름 및 식별자

우선 이름: 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
IUPAC: 2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
현지명: 2-티옥소-2,3-디히드로티에노[2,3-d]피리미딘-4(1H)-온
영어명: 2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-one
분자식: C6H4N2OS2
분자량: 184.24

이름 및 동의어

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

이름 더 보기

2-티옥소-2,3-디히드로티에노[2,3-d]피리미딘-4(1H)-온2-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 219

물리화학적 성질

밀도: 1.65 · 1.65
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

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.